data_2dky_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 2dky _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 ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.2 -62.58 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -37.3 -47.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -56.48 -52.97 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.23 -55.25 37.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 76.1 m -53.47 -58.79 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -43.19 -39.81 3.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.624 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 76.3 t90 -70.95 -51.99 22.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 76' ' ' LEU . 77.1 mt -44.22 -40.68 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -90.12 -28.48 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.21 15.13 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.523 HG22 ' CZ3' ' A' ' 29' ' ' TRP . 7.1 t -118.36 -37.11 3.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.32 -12.22 0.91 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -110.1 81.08 2.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.8 14.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.322 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -90.44 -32.65 16.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -73.2 -24.59 60.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.97 -19.02 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -87.09 -34.35 19.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.424 HD22 ' CD1' ' A' ' 46' ' ' LEU . 67.2 mt -54.43 -58.95 5.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.418 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 6.3 t80 -56.13 -38.89 71.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -59.42 -28.14 66.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -95.28 13.89 24.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 56.34 43.14 26.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.424 ' CD1' HD22 ' A' ' 41' ' ' LEU . 33.3 mt -92.43 -30.3 15.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.551 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.7 m-85 -58.64 160.76 9.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.7 Cg_endo -69.79 157.56 92.03 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.344 -0.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.551 HG12 ' CE2' ' A' ' 47' ' ' PHE . 26.3 pt -107.65 168.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -76.6 91.47 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.403 ' CD1' ' CB ' ' A' ' 73' ' ' LEU . 46.7 mm -59.01 -51.9 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.5 p -53.82 -25.92 21.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 2.7 tm? -75.28 -51.93 12.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.6 t -49.77 -24.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' ASP . 36.0 mttt -86.3 -55.65 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.437 ' HD3' ' CD2' ' A' ' 53' ' ' LEU . 8.3 ptm180 -53.55 -41.63 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -73.61 -34.44 65.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -105.23 28.92 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -53.22 -24.52 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.488 ' CE2' ' HG ' ' A' ' 61' ' ' LEU . 46.5 p90 -57.74 -42.06 83.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.488 ' HG ' ' CE2' ' A' ' 60' ' ' PHE . 47.5 mt -52.69 166.0 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -89.69 166.71 13.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -53.42 -48.27 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -61.44 -53.73 52.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.34 70.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 61' ' ' LEU . 11.9 mm -62.65 -57.99 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.65 -48.65 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.491 ' O ' ' CZ ' ' A' ' 72' ' ' ARG . . . -59.15 -47.01 86.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.47 -43.54 98.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.28 -41.29 90.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 6.0 mtp-105 -47.46 -22.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.624 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.1 OUTLIER -93.53 -49.65 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.403 ' CB ' ' CD1' ' A' ' 51' ' ' ILE . 33.4 mt -53.42 -52.59 58.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.526 ' CG ' ' N ' ' A' ' 75' ' ' THR . 2.0 p30 -54.21 -54.01 45.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.526 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 50.5 m -46.07 -28.57 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.456 ' CD1' HD11 ' A' ' 30' ' ' LEU . 90.1 mt -91.06 -36.72 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -49.24 -28.34 4.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.1 pttt -98.2 -35.54 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -72.34 -6.13 41.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.15 -8.72 15.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.855 0.36 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.31 -57.96 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.29 -53.19 6.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -47.45 -51.78 19.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.61 76.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.3 m -53.53 -56.54 16.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 17.2 t0 -48.37 -30.27 4.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.477 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 88.1 t90 -78.13 -60.01 2.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.41 ' C ' HG23 ' A' ' 33' ' ' THR . 29.5 mt -41.27 -37.91 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -87.29 -35.62 18.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 28' ' ' ASP . . . -89.41 14.55 11.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' TRP . 11.6 t -116.26 -32.43 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' N ' HG22 ' A' ' 33' ' ' THR . . . 144.63 -14.09 2.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.511 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -107.52 80.72 0.96 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -3.95 13.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.385 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -92.4 -38.9 11.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.86 -26.01 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.44 -14.63 45.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -92.14 -41.57 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 mt -47.83 -44.71 29.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -71.12 -34.16 70.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -63.03 -22.03 66.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -99.3 1.53 44.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 69.25 45.49 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.3 mt -95.94 -28.93 14.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.546 ' CE1' HG21 ' A' ' 49' ' ' ILE . 8.1 m-85 -59.57 160.88 12.35 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.73 158.77 90.55 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.353 -0.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.546 HG21 ' CE1' ' A' ' 47' ' ' PHE . 38.8 pt -104.78 175.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -85.92 96.55 9.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.3 mm -63.25 -63.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 p -42.19 -26.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.84 -48.71 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.8 t -48.85 -27.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -89.21 -46.94 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttt85 -55.82 -39.53 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -77.99 -42.91 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -96.32 32.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -28.12 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.451 ' CE2' HD23 ' A' ' 61' ' ' LEU . 41.7 p90 -54.65 -44.81 73.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.451 HD23 ' CE2' ' A' ' 60' ' ' PHE . 47.5 mt -45.2 161.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.946 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.54 161.22 22.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -52.21 -48.15 65.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -61.61 -46.72 88.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.07 84.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.2 mm -67.0 -64.97 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -42.4 -36.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.28 -55.97 8.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.8 tp -56.49 -45.08 81.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 41.3 t -58.85 -40.87 85.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.431 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 89.3 mtt180 -59.17 -19.09 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.477 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 22.8 mmt-85 -92.95 -45.2 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 31.5 mt -61.31 -56.5 19.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -47.36 -43.58 23.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.47 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.0 m -50.3 -42.75 53.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.8 mt -80.21 -34.54 37.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -49.8 -32.68 14.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -98.21 -30.56 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.75 -6.7 57.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -98.15 -40.52 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.42 -52.74 63.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -46.52 -53.5 11.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -47.69 -60.04 2.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.37 -59.28 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.08 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.3 m -47.43 -61.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -42.15 -34.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.592 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 91.7 t90 -76.3 -60.86 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.407 ' C ' HG22 ' A' ' 33' ' ' THR . 15.0 mt -39.39 -35.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -87.57 -38.16 16.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.32 7.14 23.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.46 HG21 ' N ' ' A' ' 34' ' ' GLY . 7.4 t -109.91 -34.99 6.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' N ' HG21 ' A' ' 33' ' ' THR . . . 144.9 -10.87 1.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -109.81 78.71 1.28 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.903 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -4.67 14.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 38' ' ' TYR . 10.5 pm0 -91.62 -35.68 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.425 ' N ' ' HG2' ' A' ' 37' ' ' GLN . 4.6 m-85 -64.36 -27.05 68.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.57 -15.07 33.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.091 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -88.33 -37.61 15.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.69 -49.85 73.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CD2' ' HB3' ' A' ' 76' ' ' LEU . 19.8 t80 -64.1 -32.63 74.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.83 -34.12 77.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -87.82 11.87 14.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 62.82 44.16 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.0 mt -94.45 -30.55 14.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.506 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.3 m-85 -62.93 160.88 34.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.643 0.735 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.74 159.57 89.42 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.749 -1.771 . . . . 0.0 112.325 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.506 HG12 ' CE2' ' A' ' 47' ' ' PHE . 13.0 pt -109.65 173.71 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -82.54 99.56 9.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 52' ' ' SER . 50.3 mm -66.73 -62.49 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' ILE . 77.5 p -38.0 -37.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 53' ' ' LEU . 4.3 mm? -73.85 -49.17 26.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.1 t -44.64 -35.23 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -81.93 -49.22 10.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -52.5 -42.41 64.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -69.67 -46.69 65.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.411 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 4.1 m-70 -99.07 40.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -25.2 65.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 32.5 p90 -55.0 -43.78 73.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 37.6 mt -43.13 163.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -85.94 176.5 8.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.17 -41.85 98.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.92 -45.68 77.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.47 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 mm -70.3 -54.11 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.24 -41.16 60.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.39 -59.95 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.4 tp -44.57 -46.69 10.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 44.6 t -61.35 -44.34 97.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 27.8 mtp180 -57.97 -15.93 10.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.592 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 17.2 mmt180 -93.53 -47.28 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.58 -62.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -40.6 -42.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.459 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 97.0 m -51.78 -50.16 61.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 35.4 mt -69.71 -36.06 75.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -51.52 -60.22 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -65.09 -23.74 67.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.71 -22.9 45.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.16 -29.06 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.32 -49.29 34.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -47.54 -49.54 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -55.44 -45.99 76.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' CB ' HD23 ' A' ' 76' ' ' LEU . . . -60.76 -54.55 43.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 89.7 m -52.79 -58.58 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -44.63 -41.42 6.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.589 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 87.6 t90 -70.23 -62.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' PHE . 9.1 mt -41.51 -36.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -88.16 -28.18 21.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -95.03 7.41 46.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' TRP . 9.1 t -108.87 -37.6 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.455 ' N ' HG21 ' A' ' 33' ' ' THR . . . 150.87 -11.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.461 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' LEU . 41.5 m-85 -112.8 80.46 3.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.661 0.744 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.73 16.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -88.6 -35.34 16.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.498 ' CZ ' HG23 ' A' ' 54' ' ' VAL . 6.9 m-85 -65.54 -27.73 68.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.85 -21.99 27.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -81.02 -34.84 32.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.9 mt -54.5 -48.93 71.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -65.78 -35.53 80.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -60.16 -30.21 69.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -94.83 4.28 54.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 64.92 46.27 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.4 mt -93.02 -27.38 17.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.499 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 15.0 m-85 -60.8 159.58 25.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.2 Cg_endo -69.73 160.57 87.71 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 -1.806 . . . . 0.0 112.355 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.413 HG21 ' CZ ' ' A' ' 47' ' ' PHE . 21.9 pt -113.71 170.97 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -83.33 95.0 8.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.459 HD12 ' ND2' ' A' ' 77' ' ' ASN . 29.7 mm -55.95 -40.33 62.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.9 p -55.1 -34.53 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' N ' HD21 ' A' ' 53' ' ' LEU . 4.3 mm? -68.17 -43.39 78.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.498 HG23 ' CZ ' ' A' ' 38' ' ' TYR . 72.4 t -48.57 -41.15 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 59' ' ' ASP . 4.2 mtpm? -78.98 -41.29 29.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -60.14 -30.95 69.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.54 -42.56 12.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 3.2 m-70 -104.19 34.03 3.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.799 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -51.32 -32.87 26.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 48.7 p90 -51.23 -45.14 61.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.5 mt -41.66 163.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.01 163.73 14.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -51.9 -44.99 64.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -65.26 -43.82 90.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.08 99.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 mm -68.08 -35.75 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.1 -41.39 90.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.36 72.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.455 ' O ' ' CD2' ' A' ' 73' ' ' LEU . 42.6 tp -64.67 -52.74 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.1 t -56.02 -33.11 64.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 54.0 mtp85 -60.11 -18.37 46.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 8.8 mpt_? -95.89 -39.35 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 3.1 mm? -67.32 -52.46 40.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.442 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 0.9 OUTLIER -52.42 -42.86 64.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.416 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 45.3 m -55.73 -31.44 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.452 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 66.4 mt -85.54 -32.19 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.459 ' ND2' HD12 ' A' ' 51' ' ' ILE . 3.0 m-80 -57.87 -30.28 65.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -98.18 -23.23 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.49 -9.28 56.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.89 -36.31 9.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.9 75.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -51.64 -49.13 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -55.7 -47.87 76.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.88 -60.52 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.8 m -52.94 -58.67 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -45.3 -40.86 8.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 91.9 t90 -70.7 -57.86 4.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.5 mt -45.46 -39.39 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.46 ' O ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.92 -17.25 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -109.49 14.5 23.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.7 t -117.15 -40.25 3.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.166 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.402 ' N ' HG22 ' A' ' 33' ' ' THR . . . 154.97 -16.98 0.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -112.58 83.32 5.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.647 0.736 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.23 33.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 2.231 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -70.19 -30.63 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -75.14 -18.85 60.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.79 -21.2 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -87.96 -40.42 13.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.1 mt -43.14 -46.53 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -69.22 -37.33 78.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -60.85 -28.79 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -92.53 1.63 57.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 65.02 48.99 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.3 mt -99.03 -30.23 12.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.526 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.1 m-85 -57.0 160.62 5.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.75 159.8 89.03 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.349 -0.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.526 HG12 ' CE2' ' A' ' 47' ' ' PHE . 18.6 pt -105.2 174.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.56 89.72 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.6 mm -59.17 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -41.21 -36.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.98 -44.6 63.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.8 t -46.58 -29.48 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -79.87 -41.45 26.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -61.58 -42.21 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.04 -45.04 75.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.457 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 2.9 m-70 -105.09 50.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -31.64 71.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 14.5 p90 -55.7 -39.76 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.598 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 19.8 mt -46.74 164.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -92.06 164.96 13.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -52.05 -48.5 64.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -58.22 -52.18 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.9 -45.96 82.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.4 mm -60.85 -55.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.83 -43.24 72.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -51.23 65.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 tp -57.02 -45.24 83.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 34.9 t -62.06 -47.23 85.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -43.65 -26.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.583 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 1.2 mpt_? -88.9 -46.95 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.0 mt -56.48 -58.13 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -46.45 -45.4 18.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 50.9 m -53.02 -41.87 65.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 93.1 mt -79.54 -27.71 41.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -59.08 -31.97 69.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -98.01 -31.45 12.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.74 -6.49 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.83 -45.73 4.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.846 0.355 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' LYS . . . -53.49 -68.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ALA . 1.1 tmtp? -38.32 -57.71 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -43.3 -52.47 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.82 -53.51 57.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.6 m -47.08 -51.27 18.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -47.57 -37.83 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.567 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 84.3 t90 -65.18 -53.6 42.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 76.8 mt -46.1 -38.99 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -86.73 -26.6 24.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.64 5.87 50.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.555 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 13.0 t -111.0 -36.63 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.441 ' N ' HG22 ' A' ' 33' ' ' THR . . . 148.39 -10.82 1.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' LEU . 44.3 m-85 -118.13 81.11 16.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 110.862 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -26.85 27.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -64.74 -32.66 74.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.477 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 2.7 m-85 -66.09 -30.17 70.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.67 -26.96 27.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -73.76 -33.17 64.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' ' 46' ' ' LEU . 19.6 mt -58.7 -50.5 73.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 80' ' ' ALA . 14.0 t80 -63.74 -32.22 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -95.84 11.31 34.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 60.4 48.37 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 41' ' ' LEU . 60.6 mt -97.18 -29.72 13.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CE2' HG12 ' A' ' 49' ' ' ILE . 11.9 m-85 -60.48 160.07 20.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.696 0.76 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.9 Cg_endo -69.77 163.49 81.73 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.348 -0.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.528 HG12 ' CE2' ' A' ' 47' ' ' PHE . 8.9 pt -112.84 177.16 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.48 90.12 8.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 28.6 mm -52.3 -50.86 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.3 p -48.7 -43.02 36.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.407 HD11 ' C ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -58.24 -49.04 78.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.469 ' CG2' ' OH ' ' A' ' 38' ' ' TYR . 47.0 t -41.91 -43.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -72.86 -38.06 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -61.72 -39.1 90.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -79.04 -44.53 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -101.12 44.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -26.06 66.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.826 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -59.11 -40.6 85.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.0 mt -51.56 163.45 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.33 162.61 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -51.77 -49.61 62.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -46.31 89.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.54 88.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.21 -61.05 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -38.2 -49.8 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.24 -47.96 83.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.444 ' CD1' HD22 ' A' ' 73' ' ' LEU . 35.5 tp -58.74 -51.07 71.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 35.4 t -54.67 -48.8 71.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -41.36 -29.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.567 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.1 OUTLIER -87.15 -50.1 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.1 mm? -53.08 -59.62 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -47.72 -45.39 28.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.6 m -51.21 -32.36 23.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.3 mt -90.32 -28.08 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.439 ' ND2' HD13 ' A' ' 51' ' ' ILE . 1.7 m-80 -52.58 -34.89 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -98.21 -46.23 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -53.23 -16.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.406 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . . . -88.76 -53.32 4.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.408 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . . . -71.46 -56.21 6.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -44.01 -57.42 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -40.6 -48.34 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.39 -38.26 74.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 67.8 m -60.25 -44.67 95.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -57.35 -32.36 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.517 ' CZ3' HG21 ' A' ' 33' ' ' THR . 91.7 t90 -75.81 -61.74 1.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' TRP . 91.5 mt -35.78 -39.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -88.06 -33.09 18.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -90.13 11.19 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.517 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 13.8 t -114.31 -37.97 4.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' N ' HG22 ' A' ' 33' ' ' THR . . . 150.92 -18.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.427 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.402 ' CE2' HD13 ' A' ' 69' ' ' LEU . 9.1 m-85 -107.63 78.79 0.74 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.718 . . . . 0.0 110.886 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -12.53 33.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.403 ' HG2' ' N ' ' A' ' 38' ' ' TYR . 12.3 pm0 -82.08 -29.52 31.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CZ ' HG22 ' A' ' 54' ' ' VAL . 5.4 m-85 -73.14 -25.84 60.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.72 -18.17 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -87.73 -34.9 18.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.2 mt -56.96 -44.22 82.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.408 ' CZ ' ' CB ' ' A' ' 23' ' ' ALA . 42.4 t80 -72.14 -29.71 64.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -66.46 -31.13 71.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.38 0.08 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 70.9 40.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.85 -32.11 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.482 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 7.8 m-85 -53.91 160.89 1.96 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.618 0.723 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.75 168.63 66.76 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.324 0.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.444 HG12 ' CE2' ' A' ' 47' ' ' PHE . 20.5 pt -119.21 168.69 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -77.59 85.72 3.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.7 mm -46.7 -56.22 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -47.71 -39.29 17.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -62.65 -47.0 85.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.531 HG22 ' CZ ' ' A' ' 38' ' ' TYR . 51.0 t -48.24 -28.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.54 -47.33 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -57.7 -42.48 83.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -64.68 -51.41 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -101.6 52.61 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.38 -21.31 62.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 37.2 p90 -64.07 -36.76 85.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 14.5 mt -49.69 166.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -90.16 155.03 19.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 23.3 ttm180 -42.03 -61.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -54.8 -38.8 67.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.0 95.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 mm -61.57 -53.81 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 63' ' ' ARG . 3.8 mp0 -50.66 -54.47 22.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.36 -43.24 67.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.402 HD13 ' CE2' ' A' ' 35' ' ' PHE . 44.8 tp -61.38 -36.7 81.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' ARG . 46.2 t -72.47 -36.32 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 27.2 mmm180 -42.95 -24.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.408 ' HD2' ' N ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -95.78 -55.19 3.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.401 HD13 ' CG2' ' A' ' 54' ' ' VAL . 29.6 mt -50.17 -53.59 26.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.432 ' CG ' ' N ' ' A' ' 75' ' ' THR . 5.6 p30 -46.03 -49.19 16.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.432 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 76.5 m -58.06 -60.91 3.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ALA . 35.9 mt -49.48 -46.75 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -46.9 -51.82 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -83.29 -11.24 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -92.44 -16.88 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' LEU . . . -93.06 -35.1 13.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.066 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.549 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -58.73 -55.41 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -47.09 -48.34 22.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -54.39 -50.18 68.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.36 -27.26 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.2 m -70.08 -52.09 26.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -48.85 -33.16 10.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 79.7 t90 -73.25 -53.38 11.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.2 mt -40.98 -38.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -91.52 -36.31 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.85 -2.42 36.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.6 t -100.5 -35.3 9.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.72 -10.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.64 81.58 1.47 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -4.5 14.13 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -91.25 -35.68 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.443 ' CE1' HG22 ' A' ' 54' ' ' VAL . 12.9 m-85 -70.53 -24.15 62.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.13 -14.48 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -91.84 -36.08 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -54.74 -45.7 74.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.549 ' CZ ' ' HB1' ' A' ' 23' ' ' ALA . 29.1 t80 -68.45 -31.18 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.61 -22.54 66.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -99.98 5.4 45.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 62.32 50.5 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.2 mt -98.6 -29.47 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 11.3 m-85 -57.85 160.11 8.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.835 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.4 Cg_endo -69.75 156.87 92.55 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.31 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.565 HG23 ' CZ ' ' A' ' 47' ' ' PHE . 23.3 pt -108.77 171.56 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.25 96.27 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 34.6 mm -59.16 -44.74 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.0 p -59.4 -32.17 69.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.95 -38.72 64.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.469 ' CG1' HD22 ' A' ' 69' ' ' LEU . 45.2 t -58.2 -35.72 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -79.39 -48.98 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -60.44 -36.09 77.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.6 -37.97 55.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -106.4 33.57 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -32.45 58.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -53.04 -37.15 61.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.8 mt -49.43 165.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -85.22 163.87 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -55.63 -48.75 74.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -43.44 98.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.43 -53.79 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.8 mm -60.05 -55.41 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -47.5 -56.94 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.46 77.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.469 HD22 ' CG1' ' A' ' 54' ' ' VAL . 16.2 tp -45.99 -44.66 15.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.3 t -63.32 -46.21 87.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -43.98 -23.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.572 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 6.0 mmt180 -93.33 -41.63 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 56.3 mt -59.95 -54.74 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -50.47 -41.16 52.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.8 m -56.35 -36.41 68.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 23' ' ' ALA . 77.8 mt -85.95 -29.04 23.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.451 ' ND2' HD12 ' A' ' 51' ' ' ILE . 1.8 m-80 -53.13 -34.36 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 79' ' ' CYS . 4.4 pttm -98.25 -43.68 6.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m -62.15 -8.1 5.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -97.83 -26.83 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.83 0.347 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.433 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -69.66 -41.89 74.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -47.51 54.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -57.86 -45.56 86.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.14 -57.84 9.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.5 m -51.61 -51.11 58.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -55.84 -40.97 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' THR . 77.6 t90 -69.86 -40.04 76.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.6 mt -54.62 -40.11 68.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -89.57 -16.14 31.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.33 -10.87 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.9 t -91.92 -33.19 14.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.84 -5.58 1.76 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.483 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 49.5 m-85 -113.12 83.54 6.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.674 0.749 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -10.51 28.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -83.93 -34.21 24.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.483 ' CD2' ' HB3' ' A' ' 35' ' ' PHE . 20.4 m-85 -73.64 -23.4 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -85.14 -14.24 47.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -94.66 -40.72 9.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 mt -46.46 -49.02 18.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.478 ' CD2' HD22 ' A' ' 76' ' ' LEU . 58.3 t80 -67.19 -38.31 85.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -57.9 -34.44 69.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -85.26 -10.19 56.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 73.87 47.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.7 mt -99.28 -17.4 18.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 9.5 m-85 -61.85 160.34 29.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.9 Cg_endo -69.76 158.69 90.74 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.313 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.565 HG23 ' CZ ' ' A' ' 47' ' ' PHE . 9.8 pt -107.07 175.36 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.79 94.59 8.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 42.6 mm -59.35 -38.97 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.6 p -59.58 -40.46 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' CD1' ' NH1' ' A' ' 56' ' ' ARG . 4.4 mm? -68.16 -30.48 69.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.434 ' CG1' HD22 ' A' ' 69' ' ' LEU . 64.8 t -67.84 -35.45 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -84.6 -35.73 22.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.411 ' NH1' ' CD1' ' A' ' 53' ' ' LEU . 23.6 ttt-85 -72.26 -21.73 61.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.04 -44.02 12.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 3.7 m-70 -100.75 30.28 4.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.4 -39.61 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -48.11 -41.21 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.2 mt -46.4 160.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -90.68 155.19 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -44.05 -50.0 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -59.58 -48.83 80.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.28 80.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.3 mm -65.82 -59.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.188 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -40.86 -47.05 2.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.65 -40.1 76.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.434 HD22 ' CG1' ' A' ' 54' ' ' VAL . 14.0 tp -59.76 -52.56 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 36.8 t -65.3 -35.12 80.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.424 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 6.0 mmp_? -48.4 -20.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.428 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 10.4 mpt_? -94.91 -42.44 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.4 mm? -64.43 -58.83 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.7 p30 -45.02 -42.72 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.8 m -59.73 -40.57 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.478 HD22 ' CD2' ' A' ' 42' ' ' TYR . 73.8 mt -74.28 -36.4 63.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -52.43 -52.69 52.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 pttt -73.02 -9.59 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.78 -25.58 18.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.28 -29.08 16.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.93 -42.41 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -54.92 -50.72 68.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.12 -45.92 72.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.98 -58.28 7.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m -52.95 -56.81 13.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -47.23 -35.98 8.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.571 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 89.1 t90 -67.46 -62.45 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 35' ' ' PHE . 21.7 mt -38.83 -35.36 0.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 ttt-85 -86.59 -37.92 17.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -88.6 11.17 18.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.467 HG21 ' N ' ' A' ' 34' ' ' GLY . 6.4 t -113.62 -38.29 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.467 ' N ' HG21 ' A' ' 33' ' ' THR . . . 149.47 -19.65 1.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' LEU . 26.6 m-85 -107.53 79.0 0.74 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.88 37.76 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 38' ' ' TYR . 14.4 pm0 -76.63 -32.53 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.457 ' N ' ' HG2' ' A' ' 37' ' ' GLN . 3.1 m-85 -66.72 -31.36 71.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.32 -22.35 41.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -79.79 -39.79 30.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.406 HD23 ' CD1' ' A' ' 46' ' ' LEU . 79.4 mt -50.3 -45.52 54.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.447 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 4.1 t80 -68.19 -37.22 80.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -59.27 -27.81 66.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -93.46 7.35 44.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 63.32 43.91 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.406 ' CD1' HD23 ' A' ' 41' ' ' LEU . 68.5 mt -94.06 -30.36 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.562 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 9.3 m-85 -59.24 160.56 11.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.73 163.45 81.72 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.33 -0.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.562 HG23 ' CZ ' ' A' ' 47' ' ' PHE . 30.9 pt -110.65 173.52 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.96 88.41 6.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 36.9 mm -52.46 -63.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.7 p -42.38 -36.97 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.818 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.16 -53.37 25.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.462 ' CG1' HD22 ' A' ' 69' ' ' LEU . 55.9 t -38.5 -44.44 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -64.77 -45.23 87.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -62.82 -42.5 99.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -65.01 -49.35 70.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 5.7 m-70 -98.32 43.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -56.37 -35.13 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 25.7 p90 -50.67 -36.64 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.441 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 17.8 mt -50.75 164.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -95.59 163.05 13.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -47.6 -50.09 25.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -58.57 -46.03 87.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.63 98.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.2 mm -64.71 -58.82 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.47 -52.19 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.86 -53.94 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.462 HD22 ' CG1' ' A' ' 54' ' ' VAL . 16.8 tp -44.57 -48.69 10.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ARG . 43.7 t -56.48 -48.38 77.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 70' ' ' CYS . 18.7 mmt180 -36.75 -42.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.571 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -77.94 -42.95 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.44 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 60.2 mt -58.48 -57.22 13.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' CG ' ' N ' ' A' ' 75' ' ' THR . 1.2 p30 -51.06 -47.1 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.416 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 87.0 m -48.88 -43.62 39.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 35.1 mt -75.32 -34.54 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -53.72 -33.95 57.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -98.15 -31.07 12.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.03 -12.6 60.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -94.95 -42.35 8.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . . . -70.0 -58.39 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.49 -46.01 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -47.14 -55.72 7.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.84 -57.37 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.3 m -44.83 -57.99 3.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -43.68 -34.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.586 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 87.5 t90 -76.08 -57.37 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 38' ' ' TYR . 13.5 mt -43.5 -38.76 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -87.12 -23.81 24.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -102.07 13.7 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' TRP . 6.7 t -115.24 -40.58 3.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' N ' HG21 ' A' ' 33' ' ' THR . . . 151.11 -11.69 0.79 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -113.62 84.47 8.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.92 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -22.02 32.87 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -68.98 -31.76 70.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.454 ' CB ' HD21 ' A' ' 30' ' ' LEU . 13.8 m-85 -75.59 -25.37 56.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -86.42 -21.1 27.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -86.83 -42.21 13.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mt -49.07 -38.9 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 22.6 t80 -78.04 -36.46 48.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.7 -25.09 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.9 0.11 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 66.39 48.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.3 mt -100.0 -30.77 11.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.563 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 9.6 m-85 -54.01 160.45 2.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.78 160.51 87.95 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.356 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.563 HG21 ' CZ ' ' A' ' 47' ' ' PHE . 29.2 pt -112.0 176.61 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.21 100.09 10.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.4 mm -63.65 -64.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.2 p -39.43 -39.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 53' ' ' LEU . 4.0 mm? -65.34 -51.79 58.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.45 ' CG2' HD12 ' A' ' 73' ' ' LEU . 75.2 t -37.75 -33.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ASP . 26.8 mttp -78.16 -51.6 9.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -55.7 -43.46 76.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -71.31 -44.57 64.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -105.09 40.85 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -65.74 -11.44 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -67.27 -39.89 86.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.2 mt -49.92 167.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.15 166.45 13.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -53.53 -46.94 70.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -60.12 -51.67 68.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.65 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.8 mm -60.99 -51.56 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -47.64 -54.78 10.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -66.1 -54.53 24.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.433 HD21 ' CG1' ' A' ' 54' ' ' VAL . 11.6 tp -39.39 -46.24 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.68 -39.57 93.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.458 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 17.3 mmt180 -52.11 -26.51 11.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.586 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 11.4 mmt180 -87.57 -46.24 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.45 HD12 ' CG2' ' A' ' 54' ' ' VAL . 32.4 mt -55.84 -52.24 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.6 p30 -54.54 -42.17 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.489 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 96.2 m -54.14 -36.24 63.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.7 mt -86.77 -30.42 21.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -51.26 -32.85 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 79' ' ' CYS . 47.0 pttt -98.31 -49.31 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 78' ' ' LYS . 1.6 m -53.55 -15.35 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.26 -65.98 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 78' ' ' LYS . 2.4 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . . . -53.45 -45.44 69.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -44.31 -50.37 9.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -54.64 -55.95 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.78 -60.17 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.4 m -49.0 -49.06 42.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -52.76 -30.45 32.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.496 ' O ' ' N ' ' A' ' 32' ' ' ALA . 89.3 t90 -80.04 -59.12 2.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.415 HD23 ' CD2' ' A' ' 73' ' ' LEU . 8.5 mt -42.63 -35.6 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -85.59 -25.29 26.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -104.83 13.63 30.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . 9.7 t -112.89 -40.62 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.27 -12.77 0.7 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.522 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 66.5 m-85 -109.77 85.72 4.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.892 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -15.4 37.18 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -80.38 -40.24 26.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.522 ' CD2' ' HB3' ' A' ' 35' ' ' PHE . 23.3 m-85 -68.82 -18.91 64.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -88.33 -19.05 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -93.14 -44.74 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.9 mt -42.97 -50.59 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.535 ' CD2' HD21 ' A' ' 76' ' ' LEU . 41.6 t80 -63.92 -42.0 97.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.69 -21.4 60.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.23 5.3 48.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 61.02 47.38 7.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.53 -26.99 13.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.559 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.2 m-85 -56.0 160.86 4.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.7 Cg_endo -69.8 160.82 87.5 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.351 -0.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.559 HG12 ' CE2' ' A' ' 47' ' ' PHE . 14.3 pt -108.25 173.43 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -72.89 85.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.6 mm -59.72 -65.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.4 m -45.94 -32.14 2.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -73.9 -39.71 63.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.7 t -54.37 -25.41 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -81.79 -35.77 29.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.52 -39.15 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.47 -53.0 58.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -91.57 39.49 1.01 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -13.45 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -76.28 -31.84 58.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.72 164.37 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -88.68 173.34 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.415 ' HD3' ' C ' ' A' ' 63' ' ' ARG . 3.3 tmt_? -58.78 -44.8 90.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -64.25 -51.27 64.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.17 -53.37 43.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.3 mm -58.99 -42.94 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.04 -48.35 82.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.02 86.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.416 HD13 ' CE2' ' A' ' 35' ' ' PHE . 27.6 tp -63.98 -50.83 67.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 13.8 t -65.5 -31.61 72.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -51.71 -21.2 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -96.42 -51.71 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.415 ' CD2' HD23 ' A' ' 30' ' ' LEU . 7.5 mt -52.96 -51.28 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' CG ' ' N ' ' A' ' 75' ' ' THR . 2.6 p30 -51.73 -46.14 63.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 35.8 m -59.7 -28.51 67.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.535 HD21 ' CD2' ' A' ' 42' ' ' TYR . 49.7 mt -82.47 -32.97 28.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.417 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -52.83 -61.51 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -57.8 -34.0 69.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -70.92 -24.47 62.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -93.46 -21.83 19.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 77' ' ' ASN . 2.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 24' ' ' LYS . . . -66.25 -65.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 23' ' ' ALA . 3.6 tppp? -36.37 -53.83 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -40.88 -54.37 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.444 ' HB2' ' CD2' ' A' ' 76' ' ' LEU . . . -58.4 -52.52 65.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 92.8 m -53.07 -60.8 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 28' ' ' ASP . 35.9 t0 -43.75 -39.66 3.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.571 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 87.6 t90 -69.12 -50.96 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.407 HD13 HD13 ' A' ' 76' ' ' LEU . 12.4 mt -46.5 -37.91 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -86.22 -31.55 21.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.72 0.86 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TRP . 11.8 t -106.21 -35.94 7.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.455 ' N ' HG21 ' A' ' 33' ' ' THR . . . 146.83 -10.42 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.542 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -113.4 82.01 5.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -16.62 37.49 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -76.95 -37.49 55.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.401 ' HB3' ' CD2' ' A' ' 30' ' ' LEU . 8.1 m-85 -66.12 -18.93 65.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.55 -22.24 20.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.084 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -86.93 -42.68 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.447 ' CD2' HD12 ' A' ' 46' ' ' LEU . 21.6 mt -49.3 -46.94 47.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -67.29 -38.27 84.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.28 -18.53 62.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -95.8 12.93 28.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 58.87 47.79 12.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.447 HD12 ' CD2' ' A' ' 41' ' ' LEU . 95.0 mt -105.4 -27.17 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.549 ' CE1' HG23 ' A' ' 49' ' ' ILE . 7.3 m-85 -65.78 160.76 59.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.615 0.722 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.81 159.76 89.29 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.293 0.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.549 HG23 ' CE1' ' A' ' 47' ' ' PHE . 34.7 pt -108.18 177.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.34 93.95 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.442 HD11 ' ND2' ' A' ' 77' ' ' ASN . 50.9 mm -55.38 -64.21 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p -39.58 -38.09 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HG3' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -66.99 -48.37 68.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 69' ' ' LEU . 33.1 t -42.66 -37.98 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -77.72 -34.22 52.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 53' ' ' LEU . 25.5 ttt85 -66.31 -37.39 85.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 53' ' ' LEU . 6.8 mt-10 -81.93 -39.39 23.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -105.27 32.58 4.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.37 -34.69 66.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -53.84 -40.66 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.419 ' CD1' HD12 ' A' ' 66' ' ' ILE . 23.7 mt -40.99 161.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.97 165.87 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -59.6 -41.8 91.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -48.55 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.25 82.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.419 HD12 ' CD1' ' A' ' 61' ' ' LEU . 9.7 mm -62.83 -55.78 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -46.19 -55.93 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.46 47.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.45 HD22 ' CG1' ' A' ' 54' ' ' VAL . 11.5 tp -40.2 -41.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 40.6 t -68.61 -44.76 73.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 28.9 mmm180 -48.06 -25.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.571 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 11.5 mmm180 -89.17 -44.74 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.443 ' CD1' HG13 ' A' ' 54' ' ' VAL . 83.5 mt -58.34 -52.43 65.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.9 OUTLIER -51.86 -43.35 63.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.502 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.0 m -54.12 -33.81 58.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 51.3 mt -90.17 -26.5 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.442 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.0 m-80 -56.38 -34.16 66.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -98.11 -37.78 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.09 -6.54 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.67 -31.14 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.853 0.358 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.81 -51.43 65.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -43.0 -61.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -38.54 -50.26 1.56 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.36 -50.77 72.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.84 -56.6 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -50.62 -33.44 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 90.2 t90 -73.53 -55.51 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' PHE . 27.9 mt -45.26 -38.06 5.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -87.32 -27.32 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.81 7.2 46.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.1 t -112.17 -41.25 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.417 ' N ' ' CG2' ' A' ' 33' ' ' THR . . . 154.89 -17.03 0.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' LEU . 49.0 m-85 -110.07 81.23 2.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.721 . . . . 0.0 110.919 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -20.12 35.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.728 2.285 . . . . 0.0 112.341 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -72.55 -35.96 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.414 ' C ' HD13 ' A' ' 30' ' ' LEU . 3.6 m-85 -63.84 -28.14 69.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.13 -22.54 31.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.0 -42.29 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 mt -49.57 -45.25 47.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -69.33 -37.12 77.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.46 -27.28 67.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -94.17 6.12 49.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 63.21 46.28 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.9 mt -95.7 -32.12 12.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.538 ' CZ ' HG22 ' A' ' 49' ' ' ILE . 8.1 m-85 -55.88 160.86 3.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.77 163.75 81.05 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.342 0.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.538 HG22 ' CZ ' ' A' ' 47' ' ' PHE . 18.2 pt -110.65 172.42 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.75 92.11 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.7 mm -57.95 -62.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.4 p -43.13 -37.1 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -44.52 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -51.17 -28.54 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -82.03 -45.17 15.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -58.21 -43.13 87.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -69.59 -48.9 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.404 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 7.5 m-70 -97.09 36.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -58.55 -28.0 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.404 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 51.7 p90 -56.24 -41.95 76.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.8 mt -48.78 160.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.67 145.84 25.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -39.35 -50.37 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.3 -46.86 82.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.19 88.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.4 mm -67.26 -60.17 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -38.43 -43.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.57 59.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.33 -49.3 76.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 52.4 t -58.6 -42.37 87.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -49.92 -30.16 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.53 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.1 OUTLIER -88.27 -42.6 12.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.3 mt -58.79 -55.56 33.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.9 p30 -50.7 -40.94 55.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.462 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 49.5 m -53.55 -35.65 60.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.449 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 48.0 mt -88.31 -24.84 23.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.401 ' O ' ' HB3' ' A' ' 48' ' ' PRO . 1.8 m-80 -57.63 -33.69 68.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 79' ' ' CYS . 16.3 pttm -98.21 -37.81 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m -63.7 -6.22 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.25 -10.67 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.6 -60.7 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -37.1 -49.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -52.2 -48.24 65.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.01 -60.5 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 68.3 m -48.24 -56.64 7.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -45.69 -36.77 5.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.588 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 84.3 t90 -74.49 -58.05 3.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.8 mt -42.82 -36.6 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.95 -23.21 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -104.34 13.63 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' TRP . 7.5 t -113.78 -40.44 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.53 -13.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE1' ' NE2' ' A' ' 58' ' ' HIS . 81.5 m-85 -114.11 82.55 7.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -16.51 37.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -75.67 -31.76 59.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.495 ' CZ ' HG13 ' A' ' 54' ' ' VAL . 10.0 m-85 -73.37 -19.59 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.13 -18.46 27.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -90.85 -40.36 11.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.6 mt -47.5 -44.22 25.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.5 -36.56 68.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.52 -20.49 65.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -100.02 5.97 45.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 62.23 45.28 6.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.65 -30.51 13.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.481 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 7.9 m-85 -54.21 160.88 2.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.835 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.76 171.05 55.48 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.338 0.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.424 HG12 ' CE2' ' A' ' 47' ' ' PHE . 17.6 pt -122.26 169.07 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -80.35 100.53 8.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 49.5 mm -63.46 -48.39 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 p -53.5 -19.46 3.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.66 -49.98 8.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.495 HG13 ' CZ ' ' A' ' 38' ' ' TYR . 70.0 t -46.45 -39.88 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -73.16 -27.72 61.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -72.04 -40.11 68.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -68.75 -49.19 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.514 ' NE2' ' CE1' ' A' ' 35' ' ' PHE . 6.7 m-70 -99.23 32.61 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.48 -22.99 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.498 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 54.5 p90 -67.67 -37.65 82.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.4 mt -42.27 164.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.23 153.84 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -48.76 -45.76 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.32 -46.97 86.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.12 -51.11 71.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 67' ' ' GLU . 17.7 mm -59.85 -60.44 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' ILE . 9.8 mt-10 -35.74 -47.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -69.33 -58.71 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.44 HD21 ' CG1' ' A' ' 54' ' ' VAL . 11.3 tp -38.03 -46.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 53.0 t -62.85 -40.04 96.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 68' ' ' ALA . 2.8 mmp_? -54.44 -20.56 7.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.588 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 17.3 mmt180 -96.27 -36.95 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 86.8 mt -68.34 -58.25 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -47.31 -44.53 23.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.5 m -50.8 -48.11 59.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.46 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 29.6 mt -72.81 -37.3 67.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -54.51 -31.94 57.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -98.15 -23.1 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.02 -8.13 58.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.408 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -97.67 -38.68 9.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.882 0.372 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.63 68.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -44.5 -45.13 9.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.39 -55.04 36.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.07 -58.16 8.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.3 m -50.07 -56.14 12.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -48.92 -32.09 8.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' THR . 89.1 t90 -78.18 -62.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.471 HD22 ' CD2' ' A' ' 73' ' ' LEU . 11.7 mt -41.08 -36.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.54 -29.49 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -98.67 14.45 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.8 t -114.51 -38.71 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' N ' HG21 ' A' ' 33' ' ' THR . . . 149.14 -14.97 1.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -110.51 82.59 2.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -21.13 33.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 pm0 -70.82 -28.36 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -77.92 -18.74 55.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.56 -19.45 22.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -88.7 -39.93 13.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.76 -43.69 48.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -72.56 -34.37 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -60.4 -30.93 69.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.33 5.48 49.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 63.33 48.22 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.9 mt -96.27 -29.98 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.563 ' CE1' HG22 ' A' ' 49' ' ' ILE . 9.3 m-85 -54.61 160.34 2.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.81 160.49 88.07 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.344 0.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.563 HG22 ' CE1' ' A' ' 47' ' ' PHE . 37.3 pt -108.99 168.72 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.44 90.62 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.9 mm -54.47 -64.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -40.2 -31.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -67.15 -49.1 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.943 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -43.96 -34.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -76.5 -42.85 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -59.26 -43.02 92.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -76.28 -44.41 37.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -100.65 36.2 1.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -41.79 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -45.28 -43.21 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.5 mt -44.07 160.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -91.69 158.68 16.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -48.17 -44.95 33.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -65.59 -45.24 83.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.34 89.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 67' ' ' GLU . 20.6 mm -65.4 -62.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' ILE . 9.8 mt-10 -35.79 -45.37 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.94 67.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.5 tp -57.48 -42.31 82.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.5 t -66.56 -41.8 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 43.9 mtt180 -45.9 -26.42 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -90.59 -55.27 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.471 ' CD2' HD22 ' A' ' 30' ' ' LEU . 13.5 mt -50.09 -55.77 13.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.451 ' CG ' ' N ' ' A' ' 75' ' ' THR . 1.9 p30 -49.07 -49.0 43.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.451 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 53.7 m -52.39 -35.43 51.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.2 mt -81.1 -42.42 21.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -50.19 -27.54 6.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.58 -41.18 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.2 t -72.09 -5.24 33.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.487 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -98.0 -24.75 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.831 0.348 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.71 -61.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -38.81 -43.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -53.76 -48.55 69.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.11 -58.67 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.1 m -52.83 -60.91 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 5.4 t70 -41.58 -40.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.515 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 90.4 t90 -72.77 -48.22 40.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD21 ' CB ' ' A' ' 38' ' ' TYR . 16.2 mt -49.69 -41.49 43.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -87.77 -25.71 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 28' ' ' ASP . . . -92.88 8.16 40.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' TRP . 4.8 t -115.08 -37.44 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' HG21 ' A' ' 33' ' ' THR . . . 152.86 -13.9 0.66 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -109.15 82.49 1.95 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -18.58 36.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -75.51 -40.72 56.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.408 ' CB ' HD21 ' A' ' 30' ' ' LEU . 6.4 m-85 -61.6 -28.15 69.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.06 -13.57 46.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -91.2 -44.09 9.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.1 mt -46.76 -41.25 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -73.33 -37.26 66.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.52 -24.1 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -97.41 -0.38 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 68.18 50.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.42 -31.57 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.504 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 12.9 m-85 -55.03 159.88 3.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.671 0.748 . . . . 0.0 110.83 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.78 162.84 83.34 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.327 0.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.46 HG23 ' CZ ' ' A' ' 47' ' ' PHE . 21.8 pt -114.4 167.16 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -80.2 91.01 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.453 HD12 ' ND2' ' A' ' 77' ' ' ASN . 42.3 mm -52.66 -41.45 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.1 p -46.0 -47.59 16.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' LYS . 3.2 mt -63.18 -49.17 75.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.6 t -37.97 -26.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.147 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' LEU . 37.7 mttt -87.68 -54.59 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.475 ' CD ' HD23 ' A' ' 53' ' ' LEU . 6.0 ptm180 -55.86 -44.0 77.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 56' ' ' ARG . 63.8 mm-40 -67.53 -42.24 83.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -104.41 44.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.72 -27.98 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -60.48 -17.85 47.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.64 164.08 26.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.03 142.79 27.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 63' ' ' ARG . 7.2 tmm_? -38.21 -48.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -59.38 -43.93 92.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.26 -51.02 69.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.0 mm -58.78 -47.7 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -49.62 -47.31 49.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -70.54 -60.18 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' ALA . 9.8 tp -37.83 -50.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 37.7 t -52.87 -42.94 65.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' ALA . 8.0 mmt85 -45.28 -23.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.515 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -90.35 -48.78 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' A' ' 73' ' ' LEU . 2.0 mm? -56.55 -60.69 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.422 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.4 p30 -45.4 -44.09 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.6 m -52.18 -37.49 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt -85.26 -30.38 23.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.453 ' ND2' HD12 ' A' ' 51' ' ' ILE . 2.1 m-80 -51.91 -35.07 44.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.15 -37.18 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.54 -7.67 27.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.36 -36.72 10.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.89 -61.0 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -37.05 -51.32 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -49.8 -53.84 22.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.59 -59.43 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.1 m -46.23 -56.67 5.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -50.17 -39.75 44.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.6 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 91.7 t90 -69.01 -53.94 17.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.6 mt -44.69 -41.65 6.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.47 -18.9 28.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.25 8.93 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.1 t -114.02 -36.57 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.32 -15.75 0.66 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.548 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -108.91 81.76 1.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -7.51 21.22 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -87.91 -41.54 13.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.455 ' OH ' ' CG2' ' A' ' 54' ' ' VAL . 8.3 m-85 -60.68 -25.06 66.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.39 -19.73 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -88.26 -46.05 9.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.0 mt -46.04 -40.91 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -77.0 -26.61 54.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.16 -28.93 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -89.25 -2.11 58.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 71.9 46.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.42 -30.39 12.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.56 ' CE1' HG22 ' A' ' 49' ' ' ILE . 8.5 m-85 -54.28 160.71 2.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.2 Cg_endo -69.72 162.61 83.66 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.407 -0.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.56 HG22 ' CE1' ' A' ' 47' ' ' PHE . 22.3 pt -114.31 170.01 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.94 100.62 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 51.0 mm -65.58 -51.31 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.2 p -50.07 -31.91 14.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.72 -50.61 19.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.455 ' CG2' ' OH ' ' A' ' 38' ' ' TYR . 23.3 t -40.87 -41.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -72.02 -45.94 59.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -36.68 62.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.17 -46.9 39.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -102.54 41.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -17.6 22.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.428 ' CE2' HD21 ' A' ' 61' ' ' LEU . 36.4 p90 -68.0 -41.54 82.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.428 HD21 ' CE2' ' A' ' 60' ' ' PHE . 18.8 mt -43.05 165.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -90.46 166.89 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.3 ttt-85 -55.94 -49.14 74.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -63.57 -42.19 98.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.72 -48.24 81.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 mm -59.03 -51.83 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.15 -46.34 82.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.21 76.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.24 -48.39 29.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.4 t -56.87 -34.07 67.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.451 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 31.6 mtp180 -56.74 -17.84 10.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.6 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 2.8 mpt_? -96.14 -47.75 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.2 mm? -59.24 -55.65 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.0 OUTLIER -49.25 -46.35 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.488 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.6 m -52.28 -36.13 51.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mt -85.52 -32.04 22.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.457 ' ND2' HD13 ' A' ' 51' ' ' ILE . 2.0 m-80 -51.29 -32.14 23.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -98.07 -39.89 8.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.27 -6.65 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.55 -34.37 10.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.886 0.375 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.412 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . . . -55.3 -40.99 71.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -60.75 -41.52 95.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.05 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB3' ' CD2' ' A' ' 76' ' ' LEU . . . -59.41 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.595 ' SG ' ' CD1' ' A' ' 42' ' ' TYR . 24.9 m -43.09 -59.95 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -43.6 -48.42 7.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' THR . 91.1 t90 -58.22 -61.5 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.0 mt -40.2 -40.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 5.4 tpt180 -87.76 -25.02 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -98.36 11.77 37.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' TRP . 6.1 t -116.34 -31.36 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.73 -10.64 1.44 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.433 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -109.0 80.92 1.4 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.76 19.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -93.22 -39.95 10.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.498 ' CZ ' HG22 ' A' ' 54' ' ' VAL . 9.7 m-85 -67.78 -20.14 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -85.6 -18.58 32.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -93.11 -43.61 8.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.455 ' CD2' HD13 ' A' ' 46' ' ' LEU . 90.4 mt -44.55 -48.35 10.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.595 ' CD1' ' SG ' ' A' ' 27' ' ' CYS . 31.4 t80 -65.19 -34.29 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -74.36 -19.05 60.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.21 5.76 50.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.822 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 62.39 46.97 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.455 HD13 ' CD2' ' A' ' 41' ' ' LEU . 20.7 mt -103.45 -24.27 13.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CE1' HG23 ' A' ' 49' ' ' ILE . 9.1 m-85 -62.77 158.78 49.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.657 0.742 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.3 Cg_endo -69.79 157.08 92.51 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.35 0.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.573 HG23 ' CE1' ' A' ' 47' ' ' PHE . 28.6 pt -105.23 174.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.98 94.33 9.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.46 HD12 ' ND2' ' A' ' 77' ' ' ASN . 35.6 mm -62.46 -40.58 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 p -59.31 -26.99 65.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 53' ' ' LEU . 2.0 mm? -80.79 -50.04 10.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.498 HG22 ' CZ ' ' A' ' 38' ' ' TYR . 56.1 t -41.63 -31.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -83.7 -43.14 15.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -60.68 -42.91 98.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -71.61 -48.24 49.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 2.9 m-70 -98.8 44.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -20.03 65.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -62.74 -32.03 73.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.24 168.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -94.2 158.47 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -48.57 -46.97 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.45 -44.96 89.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.59 -49.24 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.7 mm -67.22 -58.62 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -41.02 -43.8 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 69' ' ' LEU . . . -73.52 -61.06 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.461 ' CD1' HD22 ' A' ' 73' ' ' LEU . 9.6 tp -36.55 -50.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 t -52.88 -48.81 66.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.494 ' O ' ' ND2' ' A' ' 74' ' ' ASN . 21.7 mmm180 -37.72 -38.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.438 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -76.29 -55.19 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.489 ' CD1' HD12 ' A' ' 49' ' ' ILE . 2.4 mm? -49.37 -64.19 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 71' ' ' ARG . 2.1 p30 -46.05 -48.96 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 15.7 m -49.53 -31.68 10.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.4 ' CD2' ' HB3' ' A' ' 26' ' ' ALA . 3.1 mt -88.43 -39.74 14.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.46 ' ND2' HD12 ' A' ' 51' ' ' ILE . 12.1 m-80 -52.63 -49.35 65.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -72.17 -15.53 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -92.86 -19.79 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.13 -27.44 17.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.881 0.372 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.02 83.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -53.62 -42.8 68.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.91 -48.37 73.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.33 -55.86 26.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.9 m -52.52 -49.68 64.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -49.42 -35.34 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.598 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 89.4 t90 -78.68 -62.34 1.72 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 mt -40.53 -34.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -86.53 -30.54 21.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -100.69 15.44 28.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' TRP . 11.5 t -113.15 -39.88 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 33' ' ' THR . . . 148.2 -13.62 1.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -111.98 83.11 4.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.52 37.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.24 . . . . 0.0 112.357 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -74.53 -25.29 59.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -83.67 -15.85 47.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.79 -14.59 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -95.15 -40.54 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 mt -45.16 -50.73 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -64.45 -37.15 86.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.56 -30.17 69.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -93.21 8.39 40.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 60.52 46.54 9.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.3 mt -94.65 -31.37 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.57 ' CE1' HG23 ' A' ' 49' ' ' ILE . 9.6 m-85 -58.76 160.46 10.53 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.78 160.75 87.56 Favored 'Cis proline' 0 C--N 1.342 0.22 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.349 -0.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.57 HG23 ' CE1' ' A' ' 47' ' ' PHE . 10.1 pt -111.54 175.81 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -82.97 98.94 9.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 35.4 mm -63.16 -57.73 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.2 p -46.32 -36.45 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.22 -48.8 66.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.457 ' CG1' HD22 ' A' ' 69' ' ' LEU . 57.0 t -54.06 -24.88 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -83.85 -43.84 14.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -71.15 -27.98 63.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.31 -40.35 62.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.497 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . 22.6 m-70 -105.36 38.09 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -21.09 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' A' ' 58' ' ' HIS . 54.5 p90 -66.91 -42.32 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HG ' ' CE1' ' A' ' 60' ' ' PHE . 19.4 mt -46.04 166.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -91.59 156.82 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -43.54 -54.8 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.21 -48.06 77.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.35 -50.71 70.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.6 mm -61.81 -55.06 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -44.08 -52.31 7.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.84 -57.04 8.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.457 HD22 ' CG1' ' A' ' 54' ' ' VAL . 14.5 tp -39.74 -38.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 39.1 t -73.22 -43.6 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -38.5 -35.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.598 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 10.1 mpt_? -84.42 -47.15 10.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.428 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 51.8 mt -53.18 -55.72 22.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.493 ' CG ' ' N ' ' A' ' 75' ' ' THR . 1.6 p30 -54.43 -52.04 63.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.493 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 61.9 m -47.78 -31.5 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.0 mt -88.1 -31.65 19.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -53.4 -33.18 52.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 81' ' ' VAL . 5.8 pttp -98.22 -37.18 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m -66.74 -6.52 16.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.57 -47.47 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 78' ' ' LYS . 7.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -143.46 158.45 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -81.35 -46.4 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.56 89.75 0.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -123.83 40.27 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.1 p -39.48 -48.0 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.34 -159.18 14.18 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.4 mtt -126.69 162.6 25.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.731 0.3 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.3 m -139.15 162.67 34.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -106.64 164.64 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.47 111.76 16.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -120.58 146.29 42.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.62 0.724 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 86.54 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.386 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -174.79 118.32 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.1 p 36.79 39.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.4 ttm -74.0 -50.65 18.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' GLN . 15.7 mm -76.49 -52.71 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 17' ' ' ILE . 2.2 tt -34.3 -56.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.5 p -50.64 -41.34 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' ILE . 6.5 tt0 -49.76 -44.42 48.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.2 mp -65.86 -60.09 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -46.67 -46.88 20.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.2 -62.58 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -37.3 -47.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -56.48 -52.97 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.23 -55.25 37.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 76.1 m -53.47 -58.79 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -43.19 -39.81 3.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.624 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 76.3 t90 -70.95 -51.99 22.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 76' ' ' LEU . 77.1 mt -44.22 -40.68 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -90.12 -28.48 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.21 15.13 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.523 HG22 ' CZ3' ' A' ' 29' ' ' TRP . 7.1 t -118.36 -37.11 3.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.32 -12.22 0.91 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -110.1 81.08 2.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.8 14.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.322 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -90.44 -32.65 16.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -73.2 -24.59 60.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.97 -19.02 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -87.09 -34.35 19.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.424 HD22 ' CD1' ' A' ' 46' ' ' LEU . 67.2 mt -54.43 -58.95 5.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.418 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 6.3 t80 -56.13 -38.89 71.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -59.42 -28.14 66.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -95.28 13.89 24.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 56.34 43.14 26.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.424 ' CD1' HD22 ' A' ' 41' ' ' LEU . 33.3 mt -92.43 -30.3 15.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.551 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.7 m-85 -58.64 160.76 9.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.7 Cg_endo -69.79 157.56 92.03 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.344 -0.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.551 HG12 ' CE2' ' A' ' 47' ' ' PHE . 26.3 pt -107.65 168.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -76.6 91.47 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.403 ' CD1' ' CB ' ' A' ' 73' ' ' LEU . 46.7 mm -59.01 -51.9 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.5 p -53.82 -25.92 21.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 2.7 tm? -75.28 -51.93 12.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.6 t -49.77 -24.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' ASP . 36.0 mttt -86.3 -55.65 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.437 ' HD3' ' CD2' ' A' ' 53' ' ' LEU . 8.3 ptm180 -53.55 -41.63 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -73.61 -34.44 65.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -105.23 28.92 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -53.22 -24.52 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.488 ' CE2' ' HG ' ' A' ' 61' ' ' LEU . 46.5 p90 -57.74 -42.06 83.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.488 ' HG ' ' CE2' ' A' ' 60' ' ' PHE . 47.5 mt -52.69 166.0 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -89.69 166.71 13.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -53.42 -48.27 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -61.44 -53.73 52.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.34 70.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 61' ' ' LEU . 11.9 mm -62.65 -57.99 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.65 -48.65 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.491 ' O ' ' CZ ' ' A' ' 72' ' ' ARG . . . -59.15 -47.01 86.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.47 -43.54 98.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.28 -41.29 90.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 6.0 mtp-105 -47.46 -22.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.624 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.1 OUTLIER -93.53 -49.65 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.403 ' CB ' ' CD1' ' A' ' 51' ' ' ILE . 33.4 mt -53.42 -52.59 58.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.526 ' CG ' ' N ' ' A' ' 75' ' ' THR . 2.0 p30 -54.21 -54.01 45.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.526 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 50.5 m -46.07 -28.57 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.456 ' CD1' HD11 ' A' ' 30' ' ' LEU . 90.1 mt -91.06 -36.72 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -49.24 -28.34 4.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.1 pttt -98.2 -35.54 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -72.34 -6.13 41.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.15 -8.72 15.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.2 p -126.51 -11.97 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.498 ' N ' ' SD ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -41.66 -29.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' N ' ' HE1' ' A' ' 82' ' ' MET . 8.5 tmtm? -46.54 -51.84 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.65 -54.32 39.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -142.44 137.72 30.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.2 p -45.27 -63.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.85 82.6 1.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 93.58 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.676 2.251 . . . . 0.0 112.394 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.9 m -88.82 82.63 6.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 t 65.11 42.28 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -133.22 154.66 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 t -140.55 129.7 23.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.92 -132.46 2.95 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -140.17 169.38 17.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 110.876 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -110.6 170.27 8.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.74 58.29 0.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.12 100.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.698 0.285 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 94.3 m -114.74 126.74 55.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -91.68 46.89 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -159.66 144.22 15.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -143.14 156.73 61.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.871 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.74 161.16 47.01 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.664 2.243 . . . . 0.0 112.375 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -74.71 -30.99 61.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 p -145.19 108.71 4.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.8 ptp -96.88 -22.1 17.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.01 -38.84 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.31 -62.26 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.8 p -47.15 -41.28 17.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -57.91 -47.76 81.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.8 mt -58.59 -59.98 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -49.0 -51.22 31.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.31 -57.96 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.29 -53.19 6.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -47.45 -51.78 19.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.61 76.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.3 m -53.53 -56.54 16.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 17.2 t0 -48.37 -30.27 4.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.477 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 88.1 t90 -78.13 -60.01 2.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.41 ' C ' HG23 ' A' ' 33' ' ' THR . 29.5 mt -41.27 -37.91 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -87.29 -35.62 18.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 28' ' ' ASP . . . -89.41 14.55 11.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' TRP . 11.6 t -116.26 -32.43 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' N ' HG22 ' A' ' 33' ' ' THR . . . 144.63 -14.09 2.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.511 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -107.52 80.72 0.96 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -3.95 13.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.385 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -92.4 -38.9 11.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.86 -26.01 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.44 -14.63 45.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -92.14 -41.57 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 mt -47.83 -44.71 29.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -71.12 -34.16 70.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -63.03 -22.03 66.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -99.3 1.53 44.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 69.25 45.49 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.3 mt -95.94 -28.93 14.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.546 ' CE1' HG21 ' A' ' 49' ' ' ILE . 8.1 m-85 -59.57 160.88 12.35 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.73 158.77 90.55 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.353 -0.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.546 HG21 ' CE1' ' A' ' 47' ' ' PHE . 38.8 pt -104.78 175.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -85.92 96.55 9.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.3 mm -63.25 -63.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 p -42.19 -26.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.84 -48.71 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.8 t -48.85 -27.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -89.21 -46.94 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttt85 -55.82 -39.53 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -77.99 -42.91 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -96.32 32.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -28.12 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.451 ' CE2' HD23 ' A' ' 61' ' ' LEU . 41.7 p90 -54.65 -44.81 73.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.451 HD23 ' CE2' ' A' ' 60' ' ' PHE . 47.5 mt -45.2 161.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.946 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.54 161.22 22.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -52.21 -48.15 65.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -61.61 -46.72 88.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.07 84.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.2 mm -67.0 -64.97 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -42.4 -36.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.28 -55.97 8.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.8 tp -56.49 -45.08 81.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 41.3 t -58.85 -40.87 85.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.431 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 89.3 mtt180 -59.17 -19.09 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.477 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 22.8 mmt-85 -92.95 -45.2 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 31.5 mt -61.31 -56.5 19.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -47.36 -43.58 23.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.47 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.0 m -50.3 -42.75 53.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.8 mt -80.21 -34.54 37.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -49.8 -32.68 14.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -98.21 -30.56 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.75 -6.7 57.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -98.15 -40.52 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.8 p -86.47 -15.65 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -17.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -56.41 -54.75 41.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 86' ' ' SER . 5.3 mp -76.49 -74.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -49.76 92.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' LEU . 3.2 t -87.58 134.57 33.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -126.93 83.39 0.34 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -42.56 3.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 m -48.57 141.96 6.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 m -45.95 162.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 p -169.38 106.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.1 p -151.0 127.12 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.64 179.15 48.36 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -125.07 158.42 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -135.61 151.43 50.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.25 149.48 18.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 82.8 mtp -52.81 141.76 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 95.6 m -123.85 135.61 53.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -55.99 111.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -160.83 132.13 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.88 80.96 5.57 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 167.36 24.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.643 2.229 . . . . 0.0 112.368 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.22 -60.12 2.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.9 p -94.47 133.23 38.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.1 ttp -134.96 -53.58 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.7 mm -74.78 -48.66 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' ILE . 9.7 tt -37.13 -47.75 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' GLN . 43.4 p -54.21 -58.58 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' THR . 0.5 OUTLIER -35.15 -47.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.7 mp -60.15 -62.29 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -42.74 -60.99 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.42 -52.74 63.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -46.52 -53.5 11.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -47.69 -60.04 2.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.37 -59.28 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.08 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.3 m -47.43 -61.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -42.15 -34.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.592 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 91.7 t90 -76.3 -60.86 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.407 ' C ' HG22 ' A' ' 33' ' ' THR . 15.0 mt -39.39 -35.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -87.57 -38.16 16.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.32 7.14 23.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.46 HG21 ' N ' ' A' ' 34' ' ' GLY . 7.4 t -109.91 -34.99 6.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' N ' HG21 ' A' ' 33' ' ' THR . . . 144.9 -10.87 1.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -109.81 78.71 1.28 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.903 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -4.67 14.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 38' ' ' TYR . 10.5 pm0 -91.62 -35.68 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.425 ' N ' ' HG2' ' A' ' 37' ' ' GLN . 4.6 m-85 -64.36 -27.05 68.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.57 -15.07 33.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.091 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -88.33 -37.61 15.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.69 -49.85 73.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CD2' ' HB3' ' A' ' 76' ' ' LEU . 19.8 t80 -64.1 -32.63 74.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.83 -34.12 77.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -87.82 11.87 14.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 62.82 44.16 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.0 mt -94.45 -30.55 14.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.506 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.3 m-85 -62.93 160.88 34.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.643 0.735 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.74 159.57 89.42 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.749 -1.771 . . . . 0.0 112.325 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.506 HG12 ' CE2' ' A' ' 47' ' ' PHE . 13.0 pt -109.65 173.71 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -82.54 99.56 9.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 52' ' ' SER . 50.3 mm -66.73 -62.49 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' ILE . 77.5 p -38.0 -37.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 53' ' ' LEU . 4.3 mm? -73.85 -49.17 26.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.1 t -44.64 -35.23 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -81.93 -49.22 10.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -52.5 -42.41 64.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -69.67 -46.69 65.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.411 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 4.1 m-70 -99.07 40.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -25.2 65.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 32.5 p90 -55.0 -43.78 73.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 37.6 mt -43.13 163.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -85.94 176.5 8.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.17 -41.85 98.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.92 -45.68 77.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.47 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 mm -70.3 -54.11 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.24 -41.16 60.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.39 -59.95 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.4 tp -44.57 -46.69 10.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 44.6 t -61.35 -44.34 97.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 27.8 mtp180 -57.97 -15.93 10.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.592 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 17.2 mmt180 -93.53 -47.28 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.58 -62.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -40.6 -42.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.459 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 97.0 m -51.78 -50.16 61.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 35.4 mt -69.71 -36.06 75.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -51.52 -60.22 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -65.09 -23.74 67.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.71 -22.9 45.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.16 -29.06 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 83' ' ' LYS . 11.5 p -96.92 -24.44 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -34.17 -33.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 81' ' ' VAL . 5.4 tmtt? -42.63 -54.4 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -57.78 -56.5 21.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -170.18 107.18 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.1 p -68.86 -48.66 62.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.72 -171.97 29.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 157.6 59.87 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -63.16 112.16 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.7 p -60.6 -36.01 77.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 m -153.6 130.9 11.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 110.834 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -85.13 114.7 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.0 161.16 11.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -108.17 152.07 25.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -53.05 163.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.27 92.85 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ttp -91.38 133.42 35.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.759 0.314 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.7 t -134.86 108.89 8.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -116.66 63.29 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -116.53 138.95 51.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -117.72 78.62 12.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.55 0.691 . . . . 0.0 110.914 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 167.82 23.43 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.312 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' THR . 27.6 m-20 -97.86 159.01 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 14' ' ' ASP . 70.9 p 34.03 40.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.451 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 11.5 ptp -50.48 -34.5 25.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 16' ' ' MET . 2.8 mp -64.17 -42.36 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 tt -70.66 -53.06 17.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 20' ' ' GLN . 57.8 m -53.54 -57.77 9.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 19.0 tt0 -35.25 -44.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.75 -66.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -49.54 -64.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.32 -49.29 34.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 13.3 tppt? -47.54 -49.54 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -55.44 -45.99 76.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' CB ' HD23 ' A' ' 76' ' ' LEU . . . -60.76 -54.55 43.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 89.7 m -52.79 -58.58 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -44.63 -41.42 6.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.589 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 87.6 t90 -70.23 -62.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' PHE . 9.1 mt -41.51 -36.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -88.16 -28.18 21.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -95.03 7.41 46.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' TRP . 9.1 t -108.87 -37.6 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.455 ' N ' HG21 ' A' ' 33' ' ' THR . . . 150.87 -11.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.461 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' LEU . 41.5 m-85 -112.8 80.46 3.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.661 0.744 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.73 16.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -88.6 -35.34 16.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.498 ' CZ ' HG23 ' A' ' 54' ' ' VAL . 6.9 m-85 -65.54 -27.73 68.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.85 -21.99 27.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -81.02 -34.84 32.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.9 mt -54.5 -48.93 71.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -65.78 -35.53 80.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -60.16 -30.21 69.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -94.83 4.28 54.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 64.92 46.27 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.4 mt -93.02 -27.38 17.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.499 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 15.0 m-85 -60.8 159.58 25.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.2 Cg_endo -69.73 160.57 87.71 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 -1.806 . . . . 0.0 112.355 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.413 HG21 ' CZ ' ' A' ' 47' ' ' PHE . 21.9 pt -113.71 170.97 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -83.33 95.0 8.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.459 HD12 ' ND2' ' A' ' 77' ' ' ASN . 29.7 mm -55.95 -40.33 62.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.9 p -55.1 -34.53 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' N ' HD21 ' A' ' 53' ' ' LEU . 4.3 mm? -68.17 -43.39 78.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.498 HG23 ' CZ ' ' A' ' 38' ' ' TYR . 72.4 t -48.57 -41.15 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 59' ' ' ASP . 4.2 mtpm? -78.98 -41.29 29.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -60.14 -30.95 69.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.54 -42.56 12.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 3.2 m-70 -104.19 34.03 3.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.799 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -51.32 -32.87 26.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 48.7 p90 -51.23 -45.14 61.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.5 mt -41.66 163.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.01 163.73 14.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -51.9 -44.99 64.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -65.26 -43.82 90.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.08 99.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 mm -68.08 -35.75 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.1 -41.39 90.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.36 72.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.455 ' O ' ' CD2' ' A' ' 73' ' ' LEU . 42.6 tp -64.67 -52.74 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.1 t -56.02 -33.11 64.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 54.0 mtp85 -60.11 -18.37 46.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 8.8 mpt_? -95.89 -39.35 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 3.1 mm? -67.32 -52.46 40.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.442 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 0.9 OUTLIER -52.42 -42.86 64.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.416 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 45.3 m -55.73 -31.44 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.452 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 66.4 mt -85.54 -32.19 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.459 ' ND2' HD12 ' A' ' 51' ' ' ILE . 3.0 m-80 -57.87 -30.28 65.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -98.18 -23.23 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.49 -9.28 56.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.89 -36.31 9.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.5 p -89.01 -13.16 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -52.18 -16.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' N ' ' SD ' ' A' ' 82' ' ' MET . 28.2 tttt -56.42 -46.62 80.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.74 -61.46 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -166.53 108.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.0 p -85.68 135.87 33.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.88 83.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 100.32 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 t -56.49 -56.25 23.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.1 t -45.22 116.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 p -149.12 132.64 16.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.9 m -138.24 159.56 41.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.36 160.48 28.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -53.03 117.27 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m -76.82 -59.19 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.59 133.38 2.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.489 ' CG ' ' CE2' ' A' ' 45' ' ' PHE . 4.1 mpp? -90.22 172.99 8.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.758 0.313 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.5 p -169.06 -179.91 3.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -101.05 116.17 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.33 137.74 30.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -121.98 83.06 43.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 176.22 7.08 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.235 . . . . 0.0 112.32 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -79.91 117.79 21.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 65.83 53.75 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 16' ' ' MET . 1.3 tmt? -58.62 -38.6 78.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.9 mp -57.16 -35.29 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' CD2' ' C ' ' A' ' 18' ' ' LEU . 3.7 tt -53.2 -50.34 64.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.5 p -65.7 -40.7 92.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -52.77 -38.86 61.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.1 mt -64.95 -54.32 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -53.91 53.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.9 75.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -51.64 -49.13 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -55.7 -47.87 76.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.88 -60.52 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.8 m -52.94 -58.67 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -45.3 -40.86 8.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 91.9 t90 -70.7 -57.86 4.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.5 mt -45.46 -39.39 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.46 ' O ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.92 -17.25 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -109.49 14.5 23.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.7 t -117.15 -40.25 3.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.166 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.402 ' N ' HG22 ' A' ' 33' ' ' THR . . . 154.97 -16.98 0.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -112.58 83.32 5.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.647 0.736 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.23 33.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 2.231 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -70.19 -30.63 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -75.14 -18.85 60.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.79 -21.2 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -87.96 -40.42 13.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.1 mt -43.14 -46.53 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -69.22 -37.33 78.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -60.85 -28.79 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -92.53 1.63 57.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CE2' ' CG ' ' A' ' 8' ' ' MET . 65.1 m-85 65.02 48.99 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.3 mt -99.03 -30.23 12.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.526 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.1 m-85 -57.0 160.62 5.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.75 159.8 89.03 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.349 -0.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.526 HG12 ' CE2' ' A' ' 47' ' ' PHE . 18.6 pt -105.2 174.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.56 89.72 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.6 mm -59.17 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -41.21 -36.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.98 -44.6 63.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.8 t -46.58 -29.48 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -79.87 -41.45 26.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -61.58 -42.21 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.04 -45.04 75.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.457 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 2.9 m-70 -105.09 50.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -31.64 71.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 14.5 p90 -55.7 -39.76 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.598 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 19.8 mt -46.74 164.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -92.06 164.96 13.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -52.05 -48.5 64.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -58.22 -52.18 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.9 -45.96 82.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.4 mm -60.85 -55.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.83 -43.24 72.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -51.23 65.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 tp -57.02 -45.24 83.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 34.9 t -62.06 -47.23 85.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -43.65 -26.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.583 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 1.2 mpt_? -88.9 -46.95 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.0 mt -56.48 -58.13 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -46.45 -45.4 18.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 50.9 m -53.02 -41.87 65.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 93.1 mt -79.54 -27.71 41.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -59.08 -31.97 69.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -98.01 -31.45 12.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.74 -6.49 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.83 -45.73 4.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.06 -6.5 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.462 ' C ' ' SD ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -63.32 -6.95 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -80.61 -47.14 14.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.467 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 4.0 mt -44.08 -36.32 2.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -163.97 128.06 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.7 m -43.04 -66.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.9 149.63 22.0 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -19.57 35.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.5 p -40.82 -57.2 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -44.21 154.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t 58.6 42.23 20.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p -134.85 138.25 44.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.32 126.22 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -89.19 127.49 35.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -108.47 160.36 15.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.79 -144.12 3.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.9 ptp -99.85 149.97 22.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.763 0.316 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.9 m -66.37 -58.84 4.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -73.18 124.77 26.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -113.92 23.29 13.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 18.8 pttm 41.61 54.51 8.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.534 0.683 . . . . 0.0 110.867 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.76 -11.35 30.65 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -37.49 -45.11 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -91.88 -40.3 11.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -38.76 -50.81 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' GLN . 29.2 mm -60.19 -42.03 88.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' ILE . 5.5 tt -35.63 -64.74 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.518 ' CG2' ' HG3' ' A' ' 82' ' ' MET . 17.8 p -57.09 -30.08 64.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -64.75 -44.32 90.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.9 mt -64.13 -62.25 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -40.14 -42.34 1.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' LYS . . . -53.49 -68.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ALA . 1.1 tmtp? -38.32 -57.71 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -43.3 -52.47 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.82 -53.51 57.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.6 m -47.08 -51.27 18.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -47.57 -37.83 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.567 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 84.3 t90 -65.18 -53.6 42.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 76.8 mt -46.1 -38.99 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -86.73 -26.6 24.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.64 5.87 50.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.555 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 13.0 t -111.0 -36.63 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' N ' HG22 ' A' ' 33' ' ' THR . . . 148.39 -10.82 1.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' LEU . 44.3 m-85 -118.13 81.11 16.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 110.862 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -26.85 27.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -64.74 -32.66 74.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.477 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 2.7 m-85 -66.09 -30.17 70.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.67 -26.96 27.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -73.76 -33.17 64.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' ' 46' ' ' LEU . 19.6 mt -58.7 -50.5 73.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 80' ' ' ALA . 14.0 t80 -63.74 -32.22 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -95.84 11.31 34.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 60.4 48.37 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 41' ' ' LEU . 60.6 mt -97.18 -29.72 13.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CE2' HG12 ' A' ' 49' ' ' ILE . 11.9 m-85 -60.48 160.07 20.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.696 0.76 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.9 Cg_endo -69.77 163.49 81.73 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.348 -0.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.528 HG12 ' CE2' ' A' ' 47' ' ' PHE . 8.9 pt -112.84 177.16 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.48 90.12 8.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 28.6 mm -52.3 -50.86 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.3 p -48.7 -43.02 36.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.407 HD11 ' C ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -58.24 -49.04 78.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.469 ' CG2' ' OH ' ' A' ' 38' ' ' TYR . 47.0 t -41.91 -43.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -72.86 -38.06 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -61.72 -39.1 90.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -79.04 -44.53 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -101.12 44.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -26.06 66.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.826 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -59.11 -40.6 85.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.0 mt -51.56 163.45 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.33 162.61 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -51.77 -49.61 62.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -46.31 89.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.54 88.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.21 -61.05 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -38.2 -49.8 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.24 -47.96 83.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.444 ' CD1' HD22 ' A' ' 73' ' ' LEU . 35.5 tp -58.74 -51.07 71.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 35.4 t -54.67 -48.8 71.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -41.36 -29.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.567 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.1 OUTLIER -87.15 -50.1 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.1 mm? -53.08 -59.62 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -47.72 -45.39 28.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.6 m -51.21 -32.36 23.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.3 mt -90.32 -28.08 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.439 ' ND2' HD13 ' A' ' 51' ' ' ILE . 1.7 m-80 -52.58 -34.89 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -98.21 -46.23 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 19' ' ' THR . 1.6 m -53.23 -16.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.406 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . . . -88.76 -53.32 4.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 82' ' ' MET . 2.1 t -51.97 -47.34 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.518 ' HG3' ' CG2' ' A' ' 19' ' ' THR . 17.5 mmt -35.44 -43.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 82' ' ' MET . 1.1 tmtp? -35.1 -46.49 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.457 ' N ' HD21 ' A' ' 84' ' ' LEU . 3.2 mm? -58.31 -69.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.37 127.34 48.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.1 m -80.16 43.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.5 159.73 14.64 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.542 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 153.72 68.66 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.254 . . . . 0.0 112.377 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.3 p -117.82 142.37 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.5 p -61.03 137.01 58.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.539 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -110.33 174.85 5.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -80.79 -53.81 6.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.06 -85.97 0.39 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t -100.71 125.44 47.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -98.06 -51.37 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.5 -117.41 0.8 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.545 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.0 mtt 56.46 44.16 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.722 0.296 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.5 t -90.08 122.75 33.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 16.2 tpt180 -174.2 145.12 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 53.9 mttm -86.6 115.27 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -134.43 144.36 50.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 121.95 8.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.468 ' OD1' ' O ' ' A' ' 87' ' ' GLY . 1.7 t70 -152.06 175.12 12.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.6 p -39.4 106.09 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.3 mtm -104.43 -38.51 6.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mp -74.96 -58.77 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 tt -38.82 -61.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' GLN . 49.6 m -43.57 -53.47 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' THR . 34.9 tt0 -36.3 -54.25 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 22' ' ' GLU . 4.8 mp -54.05 -63.97 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -35.8 -46.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.408 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . . . -71.46 -56.21 6.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -44.01 -57.42 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -40.6 -48.34 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.39 -38.26 74.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 67.8 m -60.25 -44.67 95.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -57.35 -32.36 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.517 ' CZ3' HG21 ' A' ' 33' ' ' THR . 91.7 t90 -75.81 -61.74 1.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' TRP . 91.5 mt -35.78 -39.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -88.06 -33.09 18.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -90.13 11.19 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.517 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 13.8 t -114.31 -37.97 4.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' N ' HG22 ' A' ' 33' ' ' THR . . . 150.92 -18.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.427 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.402 ' CE2' HD13 ' A' ' 69' ' ' LEU . 9.1 m-85 -107.63 78.79 0.74 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.718 . . . . 0.0 110.886 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -12.53 33.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.403 ' HG2' ' N ' ' A' ' 38' ' ' TYR . 12.3 pm0 -82.08 -29.52 31.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CZ ' HG22 ' A' ' 54' ' ' VAL . 5.4 m-85 -73.14 -25.84 60.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.72 -18.17 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -87.73 -34.9 18.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.2 mt -56.96 -44.22 82.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.408 ' CZ ' ' CB ' ' A' ' 23' ' ' ALA . 42.4 t80 -72.14 -29.71 64.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -66.46 -31.13 71.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.38 0.08 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 70.9 40.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.85 -32.11 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.482 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 7.8 m-85 -53.91 160.89 1.96 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.618 0.723 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.75 168.63 66.76 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.324 0.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.444 HG12 ' CE2' ' A' ' 47' ' ' PHE . 20.5 pt -119.21 168.69 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -77.59 85.72 3.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.7 mm -46.7 -56.22 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -47.71 -39.29 17.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -62.65 -47.0 85.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.531 HG22 ' CZ ' ' A' ' 38' ' ' TYR . 51.0 t -48.24 -28.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.54 -47.33 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -57.7 -42.48 83.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -64.68 -51.41 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -101.6 52.61 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.38 -21.31 62.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 37.2 p90 -64.07 -36.76 85.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 14.5 mt -49.69 166.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -90.16 155.03 19.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 23.3 ttm180 -42.03 -61.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -54.8 -38.8 67.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.0 95.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 mm -61.57 -53.81 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 63' ' ' ARG . 3.8 mp0 -50.66 -54.47 22.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.36 -43.24 67.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.402 HD13 ' CE2' ' A' ' 35' ' ' PHE . 44.8 tp -61.38 -36.7 81.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' ARG . 46.2 t -72.47 -36.32 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 27.2 mmm180 -42.95 -24.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.408 ' HD2' ' N ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -95.78 -55.19 3.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.401 HD13 ' CG2' ' A' ' 54' ' ' VAL . 29.6 mt -50.17 -53.59 26.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.432 ' CG ' ' N ' ' A' ' 75' ' ' THR . 5.6 p30 -46.03 -49.19 16.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.432 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 76.5 m -58.06 -60.91 3.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ALA . 35.9 mt -49.48 -46.75 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -46.9 -51.82 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -83.29 -11.24 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -92.44 -16.88 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' LEU . . . -93.06 -35.1 13.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.066 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 83' ' ' LYS . 14.5 p -84.64 -25.81 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.454 ' N ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -39.89 -25.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -46.72 -47.41 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' GLU . 4.5 mm? -81.42 -62.37 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' LEU . 31.1 mt-10 -36.47 -72.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.2 m -56.01 159.06 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.468 ' O ' ' OD1' ' A' ' 14' ' ' ASP . . . 178.39 -89.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -39.13 6.92 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.319 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 m -86.79 103.51 15.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.8 t -89.17 108.49 19.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -115.92 160.09 20.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -128.97 129.17 45.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.57 53.17 0.69 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.543 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -166.83 107.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -140.17 123.07 16.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.4 66.36 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -108.56 147.89 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.5 p -56.33 154.8 7.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.72 33.14 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.25 133.44 56.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -106.45 86.93 2.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.536 0.684 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 154.73 67.44 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.37 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.42 -60.82 2.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 p -84.35 102.45 12.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.2 ttm -120.42 -46.13 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.98 -29.01 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 tt -55.31 -52.21 64.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' A' ' 82' ' ' MET . 17.8 p -62.28 -27.75 69.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -73.96 -47.12 39.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.51 -61.69 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.46 -40.84 19.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.549 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -58.73 -55.41 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -47.09 -48.34 22.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -54.39 -50.18 68.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.36 -27.26 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.2 m -70.08 -52.09 26.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -48.85 -33.16 10.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 79.7 t90 -73.25 -53.38 11.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.2 mt -40.98 -38.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -91.52 -36.31 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.85 -2.42 36.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.6 t -100.5 -35.3 9.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.72 -10.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.64 81.58 1.47 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -4.5 14.13 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -91.25 -35.68 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.443 ' CE1' HG22 ' A' ' 54' ' ' VAL . 12.9 m-85 -70.53 -24.15 62.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.13 -14.48 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -91.84 -36.08 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -54.74 -45.7 74.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.549 ' CZ ' ' HB1' ' A' ' 23' ' ' ALA . 29.1 t80 -68.45 -31.18 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.61 -22.54 66.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -99.98 5.4 45.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 62.32 50.5 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.2 mt -98.6 -29.47 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 11.3 m-85 -57.85 160.11 8.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.835 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.4 Cg_endo -69.75 156.87 92.55 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.31 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.565 HG23 ' CZ ' ' A' ' 47' ' ' PHE . 23.3 pt -108.77 171.56 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.25 96.27 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 34.6 mm -59.16 -44.74 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.0 p -59.4 -32.17 69.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.95 -38.72 64.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.469 ' CG1' HD22 ' A' ' 69' ' ' LEU . 45.2 t -58.2 -35.72 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -79.39 -48.98 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -60.44 -36.09 77.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.6 -37.97 55.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -106.4 33.57 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -32.45 58.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -53.04 -37.15 61.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.8 mt -49.43 165.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -85.22 163.87 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -55.63 -48.75 74.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -43.44 98.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.43 -53.79 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.8 mm -60.05 -55.41 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -47.5 -56.94 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.46 77.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.469 HD22 ' CG1' ' A' ' 54' ' ' VAL . 16.2 tp -45.99 -44.66 15.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.3 t -63.32 -46.21 87.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -43.98 -23.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.572 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 6.0 mmt180 -93.33 -41.63 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 56.3 mt -59.95 -54.74 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -50.47 -41.16 52.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.8 m -56.35 -36.41 68.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 23' ' ' ALA . 77.8 mt -85.95 -29.04 23.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.451 ' ND2' HD12 ' A' ' 51' ' ' ILE . 1.8 m-80 -53.13 -34.36 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 79' ' ' CYS . 4.4 pttm -98.25 -43.68 6.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m -62.15 -8.1 5.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -97.83 -26.83 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.477 ' HB ' ' CE ' ' A' ' 82' ' ' MET . 1.9 t -84.01 -44.73 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.477 ' CE ' ' HB ' ' A' ' 81' ' ' VAL . 16.0 mmt -43.41 -43.38 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' MET . 0.8 OUTLIER -34.39 -38.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.1 mp -75.74 -66.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -155.72 120.66 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.4 t -52.17 129.9 28.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.42 -92.58 1.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 179.62 3.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.8 p -167.24 150.5 6.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.2 t -62.05 137.29 58.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.471 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -145.31 170.46 16.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -136.33 155.09 50.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.88 -153.6 8.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -147.91 143.84 27.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.895 0.379 . . . . 0.0 110.841 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -84.92 92.47 8.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.66 56.28 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.5 tpt -108.32 113.67 26.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.5 m -55.05 150.52 10.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.07 152.48 34.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -143.93 149.94 37.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -105.94 88.8 3.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 110.875 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 177.69 5.31 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.258 . . . . 0.0 112.343 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -89.43 -48.71 7.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 64.6 p -103.7 97.64 7.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.7 ttt -115.84 -61.03 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.4 mm -48.04 -38.04 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.17 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tt -73.58 -62.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 p -53.05 -16.61 1.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -83.59 -42.73 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 mt -69.3 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -46.25 -47.29 18.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.433 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -69.66 -41.89 74.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -47.51 54.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -57.86 -45.56 86.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.14 -57.84 9.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.5 m -51.61 -51.11 58.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -55.84 -40.97 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' THR . 77.6 t90 -69.86 -40.04 76.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.6 mt -54.62 -40.11 68.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -89.57 -16.14 31.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.33 -10.87 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.9 t -91.92 -33.19 14.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.84 -5.58 1.76 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.483 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 49.5 m-85 -113.12 83.54 6.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.674 0.749 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -10.51 28.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -83.93 -34.21 24.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.483 ' CD2' ' HB3' ' A' ' 35' ' ' PHE . 20.4 m-85 -73.64 -23.4 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -85.14 -14.24 47.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -94.66 -40.72 9.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 mt -46.46 -49.02 18.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.478 ' CD2' HD22 ' A' ' 76' ' ' LEU . 58.3 t80 -67.19 -38.31 85.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -57.9 -34.44 69.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -85.26 -10.19 56.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 73.87 47.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.7 mt -99.28 -17.4 18.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE1' HG23 ' A' ' 49' ' ' ILE . 9.5 m-85 -61.85 160.34 29.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.9 Cg_endo -69.76 158.69 90.74 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.313 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.565 HG23 ' CE1' ' A' ' 47' ' ' PHE . 9.8 pt -107.07 175.36 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.79 94.59 8.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 42.6 mm -59.35 -38.97 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.6 p -59.58 -40.46 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' CD1' ' NH1' ' A' ' 56' ' ' ARG . 4.4 mm? -68.16 -30.48 69.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.434 ' CG1' HD22 ' A' ' 69' ' ' LEU . 64.8 t -67.84 -35.45 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -84.6 -35.73 22.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.411 ' NH1' ' CD1' ' A' ' 53' ' ' LEU . 23.6 ttt-85 -72.26 -21.73 61.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.04 -44.02 12.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 3.7 m-70 -100.75 30.28 4.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.4 -39.61 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -48.11 -41.21 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.2 mt -46.4 160.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -90.68 155.19 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -44.05 -50.0 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -59.58 -48.83 80.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.28 80.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.3 mm -65.82 -59.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.188 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -40.86 -47.05 2.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.65 -40.1 76.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.434 HD22 ' CG1' ' A' ' 54' ' ' VAL . 14.0 tp -59.76 -52.56 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 36.8 t -65.3 -35.12 80.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.424 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 6.0 mmp_? -48.4 -20.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.428 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 10.4 mpt_? -94.91 -42.44 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.4 mm? -64.43 -58.83 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.7 p30 -45.02 -42.72 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.8 m -59.73 -40.57 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.478 HD22 ' CD2' ' A' ' 42' ' ' TYR . 73.8 mt -74.28 -36.4 63.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -52.43 -52.69 52.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 pttt -73.02 -9.59 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.78 -25.58 18.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.28 -29.08 16.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 83' ' ' LYS . 13.5 p -90.28 -28.44 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.466 ' N ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -35.32 -31.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.5 OUTLIER -50.64 -50.68 53.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 84' ' ' LEU . 3.7 mt -54.43 -63.59 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.43 158.47 26.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -68.4 -51.11 47.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.76 146.24 4.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 117.06 4.85 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 t -38.94 -54.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -92.57 106.52 18.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 m -148.05 161.25 41.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.381 . . . . 0.0 110.863 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -117.3 149.16 40.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.64 145.67 15.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -136.31 169.53 17.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -166.76 106.38 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.19 71.43 0.21 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.456 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.6 mmt -98.96 131.08 45.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.747 0.308 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.6 p -66.26 147.34 53.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -66.49 173.95 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' LYS . 6.1 ptpt -154.08 109.21 3.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 45.6 mttm 35.74 54.77 2.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 54.0 Cg_endo -69.7 117.84 5.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.407 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.8 -50.37 36.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.5 p -96.93 40.74 1.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.0 ttp -53.88 -50.26 66.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.829 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.5 mt -94.8 -45.79 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' ILE . 7.4 tt -36.68 -49.54 0.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -58.14 -55.75 30.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -43.21 -43.87 4.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 58.4 mt -57.73 -57.66 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -56.25 -57.08 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.93 -42.41 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -54.92 -50.72 68.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.12 -45.92 72.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.98 -58.28 7.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m -52.95 -56.81 13.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -47.23 -35.98 8.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.571 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 89.1 t90 -67.46 -62.45 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 35' ' ' PHE . 21.7 mt -38.83 -35.36 0.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 ttt-85 -86.59 -37.92 17.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -88.6 11.17 18.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.467 HG21 ' N ' ' A' ' 34' ' ' GLY . 6.4 t -113.62 -38.29 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.467 ' N ' HG21 ' A' ' 33' ' ' THR . . . 149.47 -19.65 1.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' LEU . 26.6 m-85 -107.53 79.0 0.74 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.88 37.76 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 38' ' ' TYR . 14.4 pm0 -76.63 -32.53 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.457 ' N ' ' HG2' ' A' ' 37' ' ' GLN . 3.1 m-85 -66.72 -31.36 71.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.32 -22.35 41.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -79.79 -39.79 30.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.406 HD23 ' CD1' ' A' ' 46' ' ' LEU . 79.4 mt -50.3 -45.52 54.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.447 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 4.1 t80 -68.19 -37.22 80.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -59.27 -27.81 66.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -93.46 7.35 44.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 63.32 43.91 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.406 ' CD1' HD23 ' A' ' 41' ' ' LEU . 68.5 mt -94.06 -30.36 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.562 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 9.3 m-85 -59.24 160.56 11.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.73 163.45 81.72 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.33 -0.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.562 HG23 ' CZ ' ' A' ' 47' ' ' PHE . 30.9 pt -110.65 173.52 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.96 88.41 6.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 36.9 mm -52.46 -63.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.7 p -42.38 -36.97 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.818 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.16 -53.37 25.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.462 ' CG1' HD22 ' A' ' 69' ' ' LEU . 55.9 t -38.5 -44.44 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -64.77 -45.23 87.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -62.82 -42.5 99.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -65.01 -49.35 70.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 5.7 m-70 -98.32 43.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -56.37 -35.13 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 25.7 p90 -50.67 -36.64 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.441 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 17.8 mt -50.75 164.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -95.59 163.05 13.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -47.6 -50.09 25.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -58.57 -46.03 87.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.63 98.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.2 mm -64.71 -58.82 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.47 -52.19 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.86 -53.94 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.462 HD22 ' CG1' ' A' ' 54' ' ' VAL . 16.8 tp -44.57 -48.69 10.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ARG . 43.7 t -56.48 -48.38 77.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 70' ' ' CYS . 18.7 mmt180 -36.75 -42.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.571 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -77.94 -42.95 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.44 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 60.2 mt -58.48 -57.22 13.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' CG ' ' N ' ' A' ' 75' ' ' THR . 1.2 p30 -51.06 -47.1 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.416 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 87.0 m -48.88 -43.62 39.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 35.1 mt -75.32 -34.54 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -53.72 -33.95 57.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -98.15 -31.07 12.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.413 ' C ' ' HG3' ' A' ' 82' ' ' MET . 1.6 m -75.03 -12.6 60.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -94.95 -42.35 8.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.0 p -84.24 -19.78 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.413 ' HG3' ' C ' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -43.67 -23.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 83' ' ' LYS . 5.2 tmtm? -50.11 -39.19 42.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 mp -77.93 -52.09 9.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -137.46 117.93 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 t -92.51 165.88 12.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.92 83.98 0.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 90.53 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 t -73.66 85.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.0 m 57.79 54.2 6.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -121.95 -49.86 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -76.96 92.24 3.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.5 65.63 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.433 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 m -100.02 136.1 40.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -151.93 169.2 22.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.19 87.63 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.52 87.74 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.1 m -137.79 118.97 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -121.07 126.77 50.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -137.67 135.47 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -123.62 78.76 55.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.699 . . . . 0.0 110.894 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -164.37 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.401 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.498 ' OD1' ' HA3' ' A' ' 87' ' ' GLY . 12.9 p-10 -66.41 -51.29 58.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.0 p -120.23 100.56 7.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.438 ' HE1' ' NE2' ' A' ' 20' ' ' GLN . 9.6 tpt -123.64 -61.53 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.8 mm -40.15 -39.76 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 19' ' ' THR . 6.1 tt -50.66 -67.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.524 ' CG2' ' HG3' ' A' ' 82' ' ' MET . 61.3 p -53.97 -18.99 4.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.438 ' NE2' ' HE1' ' A' ' 16' ' ' MET . 0.0 OUTLIER -77.53 -49.41 14.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.6 mt -56.32 -58.41 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -45.57 -30.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . . . -70.0 -58.39 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.49 -46.01 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -47.14 -55.72 7.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.84 -57.37 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.3 m -44.83 -57.99 3.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -43.68 -34.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.586 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 87.5 t90 -76.08 -57.37 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 38' ' ' TYR . 13.5 mt -43.5 -38.76 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -87.12 -23.81 24.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -102.07 13.7 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' TRP . 6.7 t -115.24 -40.58 3.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' N ' HG21 ' A' ' 33' ' ' THR . . . 151.11 -11.69 0.79 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -113.62 84.47 8.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.92 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -22.02 32.87 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -68.98 -31.76 70.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.454 ' CB ' HD21 ' A' ' 30' ' ' LEU . 13.8 m-85 -75.59 -25.37 56.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -86.42 -21.1 27.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -86.83 -42.21 13.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mt -49.07 -38.9 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 22.6 t80 -78.04 -36.46 48.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.7 -25.09 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.9 0.11 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 66.39 48.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.3 mt -100.0 -30.77 11.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.563 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 9.6 m-85 -54.01 160.45 2.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.78 160.51 87.95 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.356 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.563 HG21 ' CZ ' ' A' ' 47' ' ' PHE . 29.2 pt -112.0 176.61 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.21 100.09 10.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.4 mm -63.65 -64.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.2 p -39.43 -39.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 53' ' ' LEU . 4.0 mm? -65.34 -51.79 58.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.45 ' CG2' HD12 ' A' ' 73' ' ' LEU . 75.2 t -37.75 -33.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ASP . 26.8 mttp -78.16 -51.6 9.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -55.7 -43.46 76.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -71.31 -44.57 64.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -105.09 40.85 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -65.74 -11.44 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -67.27 -39.89 86.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.2 mt -49.92 167.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.15 166.45 13.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -53.53 -46.94 70.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -60.12 -51.67 68.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.65 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.8 mm -60.99 -51.56 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -47.64 -54.78 10.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -66.1 -54.53 24.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.433 HD21 ' CG1' ' A' ' 54' ' ' VAL . 11.6 tp -39.39 -46.24 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.68 -39.57 93.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.458 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 17.3 mmt180 -52.11 -26.51 11.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.586 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 11.4 mmt180 -87.57 -46.24 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.45 HD12 ' CG2' ' A' ' 54' ' ' VAL . 32.4 mt -55.84 -52.24 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.6 p30 -54.54 -42.17 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.489 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 96.2 m -54.14 -36.24 63.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.7 mt -86.77 -30.42 21.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -51.26 -32.85 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 79' ' ' CYS . 47.0 pttt -98.31 -49.31 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 19' ' ' THR . 1.6 m -53.55 -15.35 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.26 -65.98 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 78' ' ' LYS . 2.4 p -39.6 -32.04 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.524 ' HG3' ' CG2' ' A' ' 19' ' ' THR . 20.6 mmt -39.29 -43.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 82' ' ' MET . 1.1 tmtp? -32.87 -39.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' MET . 5.7 mp -71.95 -65.91 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -46.46 159.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -158.39 164.36 36.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.498 ' HA3' ' OD1' ' A' ' 14' ' ' ASP . . . -108.29 145.27 16.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.486 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -171.51 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' SER . 5.4 m -94.05 98.91 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' SER . 74.3 m -34.59 -58.68 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -101.14 171.56 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 m -156.97 139.8 15.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.25 -147.22 14.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -75.24 107.3 7.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -65.26 117.72 8.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.31 -110.63 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtp -128.83 -179.27 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.7 p -85.82 50.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -61.21 -62.67 1.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.11 125.81 29.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.471 ' CD ' ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -45.56 137.49 5.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 110.933 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.73 141.59 45.76 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.393 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -157.93 160.57 37.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.7 p -47.93 139.75 7.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.434 ' O ' ' CD ' ' A' ' 20' ' ' GLN . 56.2 mtm -123.65 -49.08 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mp -68.5 -39.96 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.08 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 tt -55.64 -53.48 55.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 p -55.04 -37.68 67.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.434 ' CD ' ' O ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -65.6 -47.56 75.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.6 mt -56.05 -51.58 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -52.29 -65.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . . . -53.45 -45.44 69.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -44.31 -50.37 9.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -54.64 -55.95 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.78 -60.17 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.4 m -49.0 -49.06 42.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -52.76 -30.45 32.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.496 ' O ' ' N ' ' A' ' 32' ' ' ALA . 89.3 t90 -80.04 -59.12 2.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.415 HD23 ' CD2' ' A' ' 73' ' ' LEU . 8.5 mt -42.63 -35.6 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -85.59 -25.29 26.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -104.83 13.63 30.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . 9.7 t -112.89 -40.62 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.27 -12.77 0.7 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.522 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 66.5 m-85 -109.77 85.72 4.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.892 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -15.4 37.18 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -80.38 -40.24 26.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.522 ' CD2' ' HB3' ' A' ' 35' ' ' PHE . 23.3 m-85 -68.82 -18.91 64.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -88.33 -19.05 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -93.14 -44.74 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.9 mt -42.97 -50.59 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.535 ' CD2' HD21 ' A' ' 76' ' ' LEU . 41.6 t80 -63.92 -42.0 97.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.69 -21.4 60.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.23 5.3 48.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 61.02 47.38 7.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.53 -26.99 13.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.559 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.2 m-85 -56.0 160.86 4.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.7 Cg_endo -69.8 160.82 87.5 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.351 -0.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.559 HG12 ' CE2' ' A' ' 47' ' ' PHE . 14.3 pt -108.25 173.43 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -72.89 85.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.6 mm -59.72 -65.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.4 m -45.94 -32.14 2.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -73.9 -39.71 63.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.7 t -54.37 -25.41 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -81.79 -35.77 29.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.52 -39.15 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.47 -53.0 58.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -91.57 39.49 1.01 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -13.45 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -76.28 -31.84 58.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.72 164.37 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -88.68 173.34 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' HD3' ' C ' ' A' ' 63' ' ' ARG . 3.3 tmt_? -58.78 -44.8 90.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -64.25 -51.27 64.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.17 -53.37 43.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.3 mm -58.99 -42.94 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.04 -48.35 82.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.02 86.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.416 HD13 ' CE2' ' A' ' 35' ' ' PHE . 27.6 tp -63.98 -50.83 67.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 13.8 t -65.5 -31.61 72.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -51.71 -21.2 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -96.42 -51.71 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.415 ' CD2' HD23 ' A' ' 30' ' ' LEU . 7.5 mt -52.96 -51.28 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' CG ' ' N ' ' A' ' 75' ' ' THR . 2.6 p30 -51.73 -46.14 63.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 35.8 m -59.7 -28.51 67.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.535 HD21 ' CD2' ' A' ' 42' ' ' TYR . 49.7 mt -82.47 -32.97 28.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.417 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -52.83 -61.51 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -57.8 -34.0 69.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -70.92 -24.47 62.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -93.46 -21.83 19.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 83' ' ' LYS . 2.8 t -94.76 -30.71 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -39.04 -25.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 81' ' ' VAL . 11.6 tmtt? -48.08 -47.15 34.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.52 -63.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -52.1 152.1 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.6 p -111.93 76.75 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.04 78.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -3.95 13.0 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.391 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.9 m -60.13 168.28 2.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.1 m -76.02 149.13 37.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.493 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m 44.31 48.5 7.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -100.43 -45.55 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.37 -163.78 12.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -114.86 166.24 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.86 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -95.11 42.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.38 99.45 2.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 ptt? -87.73 142.92 27.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.8 p -142.53 131.67 23.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -72.59 -63.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -89.65 174.16 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -104.05 146.07 31.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.873 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 124.76 11.38 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -59.24 -53.46 58.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.0 p -112.8 113.91 26.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.6 tpp -107.64 -49.43 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LEU . 4.9 mp -74.69 -52.9 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' ILE . 4.6 tt -35.44 -57.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -47.79 -51.77 21.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -47.45 -43.17 23.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.6 mt -61.02 -63.53 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -42.65 -45.86 4.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 24' ' ' LYS . . . -66.25 -65.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 23' ' ' ALA . 3.6 tppp? -36.37 -53.83 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -40.88 -54.37 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.444 ' HB2' ' CD2' ' A' ' 76' ' ' LEU . . . -58.4 -52.52 65.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 92.8 m -53.07 -60.8 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 28' ' ' ASP . 35.9 t0 -43.75 -39.66 3.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.571 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 87.6 t90 -69.12 -50.96 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.407 HD13 HD13 ' A' ' 76' ' ' LEU . 12.4 mt -46.5 -37.91 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -86.22 -31.55 21.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.72 0.86 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TRP . 11.8 t -106.21 -35.94 7.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.455 ' N ' HG21 ' A' ' 33' ' ' THR . . . 146.83 -10.42 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.542 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -113.4 82.01 5.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -16.62 37.49 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -76.95 -37.49 55.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.401 ' HB3' ' CD2' ' A' ' 30' ' ' LEU . 8.1 m-85 -66.12 -18.93 65.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.55 -22.24 20.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.084 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -86.93 -42.68 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.447 ' CD2' HD12 ' A' ' 46' ' ' LEU . 21.6 mt -49.3 -46.94 47.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -67.29 -38.27 84.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.28 -18.53 62.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -95.8 12.93 28.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 58.87 47.79 12.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.447 HD12 ' CD2' ' A' ' 41' ' ' LEU . 95.0 mt -105.4 -27.17 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.549 ' CE1' HG23 ' A' ' 49' ' ' ILE . 7.3 m-85 -65.78 160.76 59.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.615 0.722 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.81 159.76 89.29 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.293 0.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.549 HG23 ' CE1' ' A' ' 47' ' ' PHE . 34.7 pt -108.18 177.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.34 93.95 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.442 HD11 ' ND2' ' A' ' 77' ' ' ASN . 50.9 mm -55.38 -64.21 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p -39.58 -38.09 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HG3' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -66.99 -48.37 68.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 69' ' ' LEU . 33.1 t -42.66 -37.98 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -77.72 -34.22 52.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 53' ' ' LEU . 25.5 ttt85 -66.31 -37.39 85.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 53' ' ' LEU . 6.8 mt-10 -81.93 -39.39 23.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -105.27 32.58 4.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.37 -34.69 66.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -53.84 -40.66 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.419 ' CD1' HD12 ' A' ' 66' ' ' ILE . 23.7 mt -40.99 161.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.97 165.87 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -59.6 -41.8 91.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -48.55 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.25 82.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.419 HD12 ' CD1' ' A' ' 61' ' ' LEU . 9.7 mm -62.83 -55.78 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -46.19 -55.93 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.46 47.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD22 ' CG1' ' A' ' 54' ' ' VAL . 11.5 tp -40.2 -41.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 40.6 t -68.61 -44.76 73.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 28.9 mmm180 -48.06 -25.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.571 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 11.5 mmm180 -89.17 -44.74 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.443 ' CD1' HG13 ' A' ' 54' ' ' VAL . 83.5 mt -58.34 -52.43 65.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.9 OUTLIER -51.86 -43.35 63.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.502 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.0 m -54.12 -33.81 58.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 51.3 mt -90.17 -26.5 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.442 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.0 m-80 -56.38 -34.16 66.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -98.11 -37.78 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.09 -6.54 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.67 -31.14 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 83' ' ' LYS . 2.8 t -83.97 -28.01 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -37.15 -28.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -67.33 -46.09 74.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 81' ' ' VAL . 3.9 mt -38.96 -29.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 83' ' ' LYS . 13.0 mt-10 34.45 47.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 87' ' ' GLY . 78.2 p -94.4 144.05 25.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 86' ' ' SER . . . -32.93 96.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.435 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.428 ' N ' ' O ' ' A' ' 86' ' ' SER . 53.7 Cg_endo -69.81 138.81 38.55 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.1 m -97.14 137.1 36.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.0 t -41.46 -48.93 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t 57.17 44.66 21.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.845 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -103.38 82.66 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.09 131.82 10.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 p -100.84 43.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -157.2 147.71 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.47 -138.37 4.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 tpp -153.55 119.13 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.717 0.294 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.8 p -59.94 -48.75 80.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -91.09 163.59 14.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -130.98 134.64 46.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -112.29 81.18 3.76 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 106.83 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' THR . 16.6 t70 -102.77 124.03 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 14' ' ' ASP . 67.3 p 34.09 39.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.7 ptm -51.84 -44.19 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -53.07 -53.97 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.47 -54.72 42.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.1 m -45.61 -48.51 14.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -55.3 -48.3 74.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.4 mt -56.02 -52.56 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -50.08 -59.91 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.81 -51.43 65.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -43.0 -61.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -38.54 -50.26 1.56 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.36 -50.77 72.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.84 -56.6 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -50.62 -33.44 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 90.2 t90 -73.53 -55.51 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' PHE . 27.9 mt -45.26 -38.06 5.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -87.32 -27.32 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.81 7.2 46.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.1 t -112.17 -41.25 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.417 ' N ' ' CG2' ' A' ' 33' ' ' THR . . . 154.89 -17.03 0.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' LEU . 49.0 m-85 -110.07 81.23 2.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.721 . . . . 0.0 110.919 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -20.12 35.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.728 2.285 . . . . 0.0 112.341 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -72.55 -35.96 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.414 ' C ' HD13 ' A' ' 30' ' ' LEU . 3.6 m-85 -63.84 -28.14 69.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.13 -22.54 31.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.0 -42.29 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 mt -49.57 -45.25 47.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -69.33 -37.12 77.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.46 -27.28 67.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -94.17 6.12 49.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 63.21 46.28 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.9 mt -95.7 -32.12 12.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.538 ' CZ ' HG22 ' A' ' 49' ' ' ILE . 8.1 m-85 -55.88 160.86 3.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.77 163.75 81.05 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.342 0.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.538 HG22 ' CZ ' ' A' ' 47' ' ' PHE . 18.2 pt -110.65 172.42 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.75 92.11 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.7 mm -57.95 -62.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.4 p -43.13 -37.1 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -44.52 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -51.17 -28.54 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -82.03 -45.17 15.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -58.21 -43.13 87.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -69.59 -48.9 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.404 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 7.5 m-70 -97.09 36.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -58.55 -28.0 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.404 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 51.7 p90 -56.24 -41.95 76.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.8 mt -48.78 160.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.67 145.84 25.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -39.35 -50.37 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.3 -46.86 82.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.19 88.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.4 mm -67.26 -60.17 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -38.43 -43.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.57 59.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.33 -49.3 76.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 52.4 t -58.6 -42.37 87.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -49.92 -30.16 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.53 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.1 OUTLIER -88.27 -42.6 12.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.3 mt -58.79 -55.56 33.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.9 p30 -50.7 -40.94 55.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.462 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 49.5 m -53.55 -35.65 60.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.449 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 48.0 mt -88.31 -24.84 23.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.401 ' O ' ' HB3' ' A' ' 48' ' ' PRO . 1.8 m-80 -57.63 -33.69 68.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 79' ' ' CYS . 16.3 pttm -98.21 -37.81 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m -63.7 -6.22 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.25 -10.67 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.61 1.39 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.6 ' CE ' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -73.65 3.72 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.6 ' N ' ' CE ' ' A' ' 82' ' ' MET . 5.7 ttmt -82.15 -46.35 13.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 mp -80.8 -56.78 3.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -53.54 140.94 26.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.0 t -129.31 -50.53 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.27 -167.39 3.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 131.7 21.79 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.724 2.283 . . . . 0.0 112.336 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.0 m -75.95 158.18 32.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.3 p -135.33 130.19 34.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.509 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 p -121.42 170.05 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.1 m -136.69 112.4 9.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.11 154.45 53.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -106.23 -44.54 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.835 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m 52.83 43.12 31.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.35 124.82 1.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.446 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.5 mtt -64.6 109.45 2.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.3 m -110.25 141.5 43.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -65.13 115.96 6.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -90.24 153.35 20.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -115.59 80.98 8.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.541 0.686 . . . . 0.0 110.898 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ASP . 53.9 Cg_endo -69.77 1.38 4.49 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.379 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' PRO . 16.2 t70 -34.82 -48.18 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.4 p -123.82 61.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.0 ttp -98.55 -41.13 7.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.422 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 5.3 mm -71.07 -47.02 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 tt -53.78 -63.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 p -42.11 -52.05 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -38.17 -50.02 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.422 ' CD1' ' O ' ' A' ' 17' ' ' ILE . 4.6 mp -60.31 -63.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -42.59 -61.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.6 -60.7 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -37.1 -49.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -52.2 -48.24 65.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.01 -60.5 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 68.3 m -48.24 -56.64 7.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -45.69 -36.77 5.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.588 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 84.3 t90 -74.49 -58.05 3.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.8 mt -42.82 -36.6 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.95 -23.21 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -104.34 13.63 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' TRP . 7.5 t -113.78 -40.44 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.53 -13.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE1' ' NE2' ' A' ' 58' ' ' HIS . 81.5 m-85 -114.11 82.55 7.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -16.51 37.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -75.67 -31.76 59.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.495 ' CZ ' HG13 ' A' ' 54' ' ' VAL . 10.0 m-85 -73.37 -19.59 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.13 -18.46 27.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -90.85 -40.36 11.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.6 mt -47.5 -44.22 25.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.5 -36.56 68.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.52 -20.49 65.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -100.02 5.97 45.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 62.23 45.28 6.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.65 -30.51 13.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.481 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 7.9 m-85 -54.21 160.88 2.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.835 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.76 171.05 55.48 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.338 0.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.424 HG12 ' CE2' ' A' ' 47' ' ' PHE . 17.6 pt -122.26 169.07 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -80.35 100.53 8.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 49.5 mm -63.46 -48.39 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 p -53.5 -19.46 3.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.66 -49.98 8.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.495 HG13 ' CZ ' ' A' ' 38' ' ' TYR . 70.0 t -46.45 -39.88 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -73.16 -27.72 61.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -72.04 -40.11 68.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -68.75 -49.19 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.514 ' NE2' ' CE1' ' A' ' 35' ' ' PHE . 6.7 m-70 -99.23 32.61 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.48 -22.99 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.498 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 54.5 p90 -67.67 -37.65 82.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.4 mt -42.27 164.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.23 153.84 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -48.76 -45.76 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.32 -46.97 86.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.12 -51.11 71.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 67' ' ' GLU . 17.7 mm -59.85 -60.44 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' ILE . 9.8 mt-10 -35.74 -47.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -69.33 -58.71 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.44 HD21 ' CG1' ' A' ' 54' ' ' VAL . 11.3 tp -38.03 -46.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 53.0 t -62.85 -40.04 96.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 68' ' ' ALA . 2.8 mmp_? -54.44 -20.56 7.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.588 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 17.3 mmt180 -96.27 -36.95 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 86.8 mt -68.34 -58.25 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -47.31 -44.53 23.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.5 m -50.8 -48.11 59.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.46 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 29.6 mt -72.81 -37.3 67.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -54.51 -31.94 57.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -98.15 -23.1 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.02 -8.13 58.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.408 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -97.67 -38.68 9.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 82' ' ' MET . 10.8 p -84.61 -23.02 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.487 ' SD ' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -37.46 -34.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.487 ' N ' ' SD ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -39.62 -48.76 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -57.43 -66.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -110.89 120.3 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -50.53 172.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.57 83.44 0.33 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -10.52 28.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.5 p -97.77 167.62 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.0 p -169.87 133.55 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.462 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -143.59 177.03 8.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p -113.8 41.98 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.06 -178.46 43.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -75.59 142.09 42.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -131.56 178.48 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.52 -56.71 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.445 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.3 ttp -49.62 103.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.7 m -56.57 -63.63 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -159.0 140.11 12.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -174.96 145.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.97 144.11 0.81 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.552 0.692 . . . . 0.0 110.897 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 2.83 3.2 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.323 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t70 73.27 45.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.45 ' HB ' ' CB ' ' A' ' 18' ' ' LEU . 3.0 m -68.86 115.89 8.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.3 ptm -65.3 -37.2 86.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 mp -69.44 -32.14 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' CB ' ' HB ' ' A' ' 15' ' ' THR . 8.9 tt -61.81 -49.22 77.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.8 p -59.43 -40.72 87.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -56.96 -42.74 80.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.15 -65.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -43.7 -57.25 3.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.63 68.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -44.5 -45.13 9.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.39 -55.04 36.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.07 -58.16 8.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.3 m -50.07 -56.14 12.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -48.92 -32.09 8.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' THR . 89.1 t90 -78.18 -62.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.471 HD22 ' CD2' ' A' ' 73' ' ' LEU . 11.7 mt -41.08 -36.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.54 -29.49 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -98.67 14.45 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.8 t -114.51 -38.71 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' N ' HG21 ' A' ' 33' ' ' THR . . . 149.14 -14.97 1.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -110.51 82.59 2.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -21.13 33.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 pm0 -70.82 -28.36 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -77.92 -18.74 55.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.56 -19.45 22.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -88.7 -39.93 13.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.76 -43.69 48.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -72.56 -34.37 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -60.4 -30.93 69.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.33 5.48 49.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 63.33 48.22 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.9 mt -96.27 -29.98 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.563 ' CE1' HG22 ' A' ' 49' ' ' ILE . 9.3 m-85 -54.61 160.34 2.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.81 160.49 88.07 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.344 0.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.563 HG22 ' CE1' ' A' ' 47' ' ' PHE . 37.3 pt -108.99 168.72 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.44 90.62 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.9 mm -54.47 -64.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -40.2 -31.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -67.15 -49.1 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.943 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -43.96 -34.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -76.5 -42.85 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -59.26 -43.02 92.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -76.28 -44.41 37.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -100.65 36.2 1.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -41.79 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -45.28 -43.21 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.5 mt -44.07 160.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -91.69 158.68 16.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -48.17 -44.95 33.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -65.59 -45.24 83.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.34 89.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 67' ' ' GLU . 20.6 mm -65.4 -62.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' ILE . 9.8 mt-10 -35.79 -45.37 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.94 67.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.5 tp -57.48 -42.31 82.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.5 t -66.56 -41.8 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 43.9 mtt180 -45.9 -26.42 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -90.59 -55.27 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.471 ' CD2' HD22 ' A' ' 30' ' ' LEU . 13.5 mt -50.09 -55.77 13.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.451 ' CG ' ' N ' ' A' ' 75' ' ' THR . 1.9 p30 -49.07 -49.0 43.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.451 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 53.7 m -52.39 -35.43 51.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.2 mt -81.1 -42.42 21.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -50.19 -27.54 6.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -92.58 -41.18 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.413 ' O ' ' SD ' ' A' ' 82' ' ' MET . 1.2 t -72.09 -5.24 33.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.487 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -98.0 -24.75 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 82' ' ' MET . 8.0 p -125.98 -0.67 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.508 ' N ' ' SD ' ' A' ' 82' ' ' MET . 0.1 OUTLIER -33.54 -40.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -38.92 -50.37 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.58 -48.81 73.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.55 156.58 19.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.1 m -45.04 144.39 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -169.18 -80.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 119.05 6.05 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.366 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 t -119.52 -58.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.2 m -91.45 110.97 22.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 p 41.35 42.53 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -107.67 133.73 51.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.55 105.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 p -124.7 129.82 51.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.827 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -153.19 166.22 33.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.68 -47.56 23.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.36 167.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 p -171.91 166.4 6.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.454 ' HD3' ' CG ' ' A' ' 12' ' ' LYS . 17.0 ttt-85 -101.18 144.85 29.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -52.12 -19.16 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.454 ' CG ' ' HD3' ' A' ' 10' ' ' ARG . 26.8 mmtp -53.23 142.44 37.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.552 0.692 . . . . 0.0 110.909 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -10.67 29.18 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.335 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -44.52 116.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.469 ' HB ' ' CB ' ' A' ' 18' ' ' LEU . 88.8 m -165.73 130.74 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.3 ttt -47.95 -48.63 31.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.438 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 5.8 mm -70.09 -60.43 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' CB ' ' HB ' ' A' ' 15' ' ' THR . 6.2 tt -41.32 -50.93 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -51.48 -50.04 60.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -48.2 -40.33 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.438 ' CD1' ' O ' ' A' ' 17' ' ' ILE . 5.3 mp -70.16 -62.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -46.03 -39.77 9.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.71 -61.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -38.81 -43.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -53.76 -48.55 69.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.11 -58.67 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.1 m -52.83 -60.91 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 5.4 t70 -41.58 -40.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.515 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 90.4 t90 -72.77 -48.22 40.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD21 ' CB ' ' A' ' 38' ' ' TYR . 16.2 mt -49.69 -41.49 43.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -87.77 -25.71 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 28' ' ' ASP . . . -92.88 8.16 40.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' TRP . 4.8 t -115.08 -37.44 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' HG21 ' A' ' 33' ' ' THR . . . 152.86 -13.9 0.66 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -109.15 82.49 1.95 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -18.58 36.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -75.51 -40.72 56.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.408 ' CB ' HD21 ' A' ' 30' ' ' LEU . 6.4 m-85 -61.6 -28.15 69.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.06 -13.57 46.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -91.2 -44.09 9.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.1 mt -46.76 -41.25 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -73.33 -37.26 66.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.52 -24.1 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -97.41 -0.38 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 68.18 50.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.42 -31.57 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.504 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 12.9 m-85 -55.03 159.88 3.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.671 0.748 . . . . 0.0 110.83 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.78 162.84 83.34 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.327 0.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.46 HG23 ' CZ ' ' A' ' 47' ' ' PHE . 21.8 pt -114.4 167.16 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -80.2 91.01 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.453 HD12 ' ND2' ' A' ' 77' ' ' ASN . 42.3 mm -52.66 -41.45 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.1 p -46.0 -47.59 16.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' LYS . 3.2 mt -63.18 -49.17 75.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.6 t -37.97 -26.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.147 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' LEU . 37.7 mttt -87.68 -54.59 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.475 ' CD ' HD23 ' A' ' 53' ' ' LEU . 6.0 ptm180 -55.86 -44.0 77.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 56' ' ' ARG . 63.8 mm-40 -67.53 -42.24 83.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -104.41 44.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.72 -27.98 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -60.48 -17.85 47.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.64 164.08 26.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.03 142.79 27.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 63' ' ' ARG . 7.2 tmm_? -38.21 -48.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -59.38 -43.93 92.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.26 -51.02 69.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.0 mm -58.78 -47.7 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -49.62 -47.31 49.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -70.54 -60.18 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' ALA . 9.8 tp -37.83 -50.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 37.7 t -52.87 -42.94 65.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' ALA . 8.0 mmt85 -45.28 -23.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.515 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -90.35 -48.78 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' A' ' 73' ' ' LEU . 2.0 mm? -56.55 -60.69 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.422 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.4 p30 -45.4 -44.09 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.6 m -52.18 -37.49 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt -85.26 -30.38 23.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.453 ' ND2' HD12 ' A' ' 51' ' ' ILE . 2.1 m-80 -51.91 -35.07 44.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.15 -37.18 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.54 -7.67 27.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.36 -36.72 10.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 83' ' ' LYS . 2.6 t -76.29 -36.77 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -34.15 -32.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 81' ' ' VAL . 9.0 tmtm? -39.01 -47.31 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 85' ' ' GLU . 4.6 mp -93.76 -46.85 7.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 84' ' ' LEU . 1.3 tm-20 -34.99 113.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 m -143.39 176.89 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.23 178.84 37.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -15.73 37.36 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.305 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 81.0 p -53.33 137.94 33.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -58.6 94.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 p -142.39 169.22 17.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -68.02 93.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.87 128.88 9.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 m -79.99 -61.27 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -52.23 -44.18 64.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.25 114.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 tpt -92.31 97.44 10.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.5 p 39.15 42.04 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -84.46 163.65 19.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -69.63 179.66 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -134.52 81.53 48.14 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.545 0.688 . . . . 0.0 110.913 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 146.97 61.62 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.248 . . . . 0.0 112.355 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -49.9 119.46 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.7 p -133.66 61.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.13 -13.55 28.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.2 mp -77.51 -42.12 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.23 -49.45 77.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.3 p -53.43 -50.01 66.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -41.55 -31.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.4 mt -80.15 -59.4 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -50.24 -53.65 26.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.89 -61.0 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -37.05 -51.32 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -49.8 -53.84 22.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.59 -59.43 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.1 m -46.23 -56.67 5.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -50.17 -39.75 44.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.6 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 91.7 t90 -69.01 -53.94 17.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.6 mt -44.69 -41.65 6.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.47 -18.9 28.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.25 8.93 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.1 t -114.02 -36.57 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.32 -15.75 0.66 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.548 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -108.91 81.76 1.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -7.51 21.22 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -87.91 -41.54 13.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.455 ' OH ' ' CG2' ' A' ' 54' ' ' VAL . 8.3 m-85 -60.68 -25.06 66.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.39 -19.73 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -88.26 -46.05 9.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.0 mt -46.04 -40.91 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -77.0 -26.61 54.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.16 -28.93 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -89.25 -2.11 58.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 71.9 46.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.42 -30.39 12.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.56 ' CE1' HG22 ' A' ' 49' ' ' ILE . 8.5 m-85 -54.28 160.71 2.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.2 Cg_endo -69.72 162.61 83.66 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.407 -0.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.56 HG22 ' CE1' ' A' ' 47' ' ' PHE . 22.3 pt -114.31 170.01 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.94 100.62 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 51.0 mm -65.58 -51.31 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.2 p -50.07 -31.91 14.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.72 -50.61 19.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.455 ' CG2' ' OH ' ' A' ' 38' ' ' TYR . 23.3 t -40.87 -41.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -72.02 -45.94 59.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -36.68 62.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.17 -46.9 39.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -102.54 41.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -17.6 22.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.428 ' CE2' HD21 ' A' ' 61' ' ' LEU . 36.4 p90 -68.0 -41.54 82.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.428 HD21 ' CE2' ' A' ' 60' ' ' PHE . 18.8 mt -43.05 165.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -90.46 166.89 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.3 ttt-85 -55.94 -49.14 74.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -63.57 -42.19 98.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.72 -48.24 81.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 mm -59.03 -51.83 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.15 -46.34 82.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.21 76.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.24 -48.39 29.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.4 t -56.87 -34.07 67.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.451 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 31.6 mtp180 -56.74 -17.84 10.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.6 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 2.8 mpt_? -96.14 -47.75 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.2 mm? -59.24 -55.65 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.0 OUTLIER -49.25 -46.35 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.488 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.6 m -52.28 -36.13 51.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mt -85.52 -32.04 22.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.457 ' ND2' HD13 ' A' ' 51' ' ' ILE . 2.0 m-80 -51.29 -32.14 23.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -98.07 -39.89 8.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.27 -6.65 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.55 -34.37 10.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 83' ' ' LYS . 2.5 t -77.69 -36.99 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.454 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -34.01 -33.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 81' ' ' VAL . 11.7 ttpp -37.54 -58.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 mp -65.01 -42.45 94.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -44.07 -31.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.2 t -54.97 161.31 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.3 149.99 2.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -1.0 7.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 m -44.79 -43.27 8.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.9 p -113.94 121.63 44.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 m -92.96 143.08 26.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.375 . . . . 0.0 110.875 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 p -52.73 -55.65 21.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.43 174.59 15.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 p -58.49 116.88 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -106.12 124.72 50.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.5 58.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.5 mtp -83.66 132.26 34.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 p -165.13 168.08 17.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.404 ' N ' ' HD2' ' A' ' 10' ' ' ARG . 1.7 mpt_? -66.05 119.26 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -89.58 158.09 17.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -56.61 122.65 52.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.547 0.689 . . . . 0.0 110.908 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -20.09 35.14 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.308 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 15' ' ' THR . 18.9 m-20 -130.61 162.68 28.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' ASP . 73.3 p 36.81 48.03 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.5 ptp -82.36 -26.6 32.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.5 mm -78.71 -54.63 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tt -45.15 -66.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 p -45.99 -50.09 15.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 18.5 tt0 -50.03 -45.21 51.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.97 -66.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -47.61 -58.46 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.412 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . . . -55.3 -40.99 71.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 3.4 tppp? -60.75 -41.52 95.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.05 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB3' ' CD2' ' A' ' 76' ' ' LEU . . . -59.41 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.595 ' SG ' ' CD1' ' A' ' 42' ' ' TYR . 24.9 m -43.09 -59.95 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -43.6 -48.42 7.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' THR . 91.1 t90 -58.22 -61.5 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.0 mt -40.2 -40.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 5.4 tpt180 -87.76 -25.02 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -98.36 11.77 37.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' TRP . 6.1 t -116.34 -31.36 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.73 -10.64 1.44 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.433 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -109.0 80.92 1.4 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.76 19.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -93.22 -39.95 10.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.498 ' CZ ' HG22 ' A' ' 54' ' ' VAL . 9.7 m-85 -67.78 -20.14 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -85.6 -18.58 32.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -93.11 -43.61 8.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' CD2' HD13 ' A' ' 46' ' ' LEU . 90.4 mt -44.55 -48.35 10.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.595 ' CD1' ' SG ' ' A' ' 27' ' ' CYS . 31.4 t80 -65.19 -34.29 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -74.36 -19.05 60.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.21 5.76 50.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.822 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 62.39 46.97 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.455 HD13 ' CD2' ' A' ' 41' ' ' LEU . 20.7 mt -103.45 -24.27 13.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CE1' HG23 ' A' ' 49' ' ' ILE . 9.1 m-85 -62.77 158.78 49.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.657 0.742 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.3 Cg_endo -69.79 157.08 92.51 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.35 0.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.573 HG23 ' CE1' ' A' ' 47' ' ' PHE . 28.6 pt -105.23 174.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.98 94.33 9.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.46 HD12 ' ND2' ' A' ' 77' ' ' ASN . 35.6 mm -62.46 -40.58 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 p -59.31 -26.99 65.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 53' ' ' LEU . 2.0 mm? -80.79 -50.04 10.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.498 HG22 ' CZ ' ' A' ' 38' ' ' TYR . 56.1 t -41.63 -31.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -83.7 -43.14 15.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -60.68 -42.91 98.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -71.61 -48.24 49.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 2.9 m-70 -98.8 44.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -20.03 65.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -62.74 -32.03 73.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.24 168.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -94.2 158.47 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -48.57 -46.97 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.45 -44.96 89.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.59 -49.24 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.7 mm -67.22 -58.62 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -41.02 -43.8 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 69' ' ' LEU . . . -73.52 -61.06 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' CD1' HD22 ' A' ' 73' ' ' LEU . 9.6 tp -36.55 -50.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 t -52.88 -48.81 66.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.494 ' O ' ' ND2' ' A' ' 74' ' ' ASN . 21.7 mmm180 -37.72 -38.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.438 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -76.29 -55.19 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.489 ' CD1' HD12 ' A' ' 49' ' ' ILE . 2.4 mm? -49.37 -64.19 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 71' ' ' ARG . 2.1 p30 -46.05 -48.96 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 15.7 m -49.53 -31.68 10.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.4 ' CD2' ' HB3' ' A' ' 26' ' ' ALA . 3.1 mt -88.43 -39.74 14.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.46 ' ND2' HD12 ' A' ' 51' ' ' ILE . 12.1 m-80 -52.63 -49.35 65.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -72.17 -15.53 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -92.86 -19.79 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.13 -27.44 17.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 83' ' ' LYS . 8.9 p -97.77 -22.89 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.456 ' N ' HG11 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -37.5 -28.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 81' ' ' VAL . 28.8 tptt -52.5 -53.18 49.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -71.48 -50.71 28.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -57.32 122.53 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.1 t -148.0 155.16 41.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.25 -157.89 30.12 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.98 9.41 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.3 p -93.56 155.59 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.5 t -97.3 150.14 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t 41.3 42.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.839 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -130.85 169.77 15.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.55 153.3 5.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -173.01 176.68 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -164.72 166.13 20.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.66 89.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttt -98.67 100.49 11.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.9 m -149.69 154.92 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -107.2 100.92 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -140.92 132.92 27.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -101.89 143.27 26.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HG2' ' CG ' ' A' ' 16' ' ' MET . 53.1 Cg_endo -69.8 161.3 46.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.256 . . . . 0.0 112.284 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.08 -56.41 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.9 p -86.98 98.3 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.402 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 37.6 mtm -117.45 -39.83 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.4 mp -76.21 -40.03 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.69 -57.71 5.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -57.44 -51.35 69.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -41.01 -47.18 3.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 mt -57.75 -64.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.94 -47.83 32.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.02 83.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -53.62 -42.8 68.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.91 -48.37 73.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.33 -55.86 26.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.9 m -52.52 -49.68 64.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -49.42 -35.34 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.598 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 89.4 t90 -78.68 -62.34 1.72 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 mt -40.53 -34.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -86.53 -30.54 21.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -100.69 15.44 28.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' TRP . 11.5 t -113.15 -39.88 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 33' ' ' THR . . . 148.2 -13.62 1.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -111.98 83.11 4.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.52 37.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.24 . . . . 0.0 112.357 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -74.53 -25.29 59.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -83.67 -15.85 47.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.79 -14.59 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -95.15 -40.54 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 mt -45.16 -50.73 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -64.45 -37.15 86.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.56 -30.17 69.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -93.21 8.39 40.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 60.52 46.54 9.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.3 mt -94.65 -31.37 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.57 ' CE1' HG23 ' A' ' 49' ' ' ILE . 9.6 m-85 -58.76 160.46 10.53 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.78 160.75 87.56 Favored 'Cis proline' 0 C--N 1.342 0.22 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.349 -0.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.57 HG23 ' CE1' ' A' ' 47' ' ' PHE . 10.1 pt -111.54 175.81 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -82.97 98.94 9.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 35.4 mm -63.16 -57.73 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.2 p -46.32 -36.45 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.22 -48.8 66.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.457 ' CG1' HD22 ' A' ' 69' ' ' LEU . 57.0 t -54.06 -24.88 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -83.85 -43.84 14.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -71.15 -27.98 63.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.31 -40.35 62.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.497 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . 22.6 m-70 -105.36 38.09 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -21.09 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' A' ' 58' ' ' HIS . 54.5 p90 -66.91 -42.32 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HG ' ' CE1' ' A' ' 60' ' ' PHE . 19.4 mt -46.04 166.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -91.59 156.82 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -43.54 -54.8 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.21 -48.06 77.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.35 -50.71 70.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.6 mm -61.81 -55.06 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -44.08 -52.31 7.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.84 -57.04 8.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.457 HD22 ' CG1' ' A' ' 54' ' ' VAL . 14.5 tp -39.74 -38.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 39.1 t -73.22 -43.6 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -38.5 -35.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.598 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 10.1 mpt_? -84.42 -47.15 10.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.428 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 51.8 mt -53.18 -55.72 22.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.493 ' CG ' ' N ' ' A' ' 75' ' ' THR . 1.6 p30 -54.43 -52.04 63.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.493 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 61.9 m -47.78 -31.5 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.0 mt -88.1 -31.65 19.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -53.4 -33.18 52.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 81' ' ' VAL . 5.8 pttp -98.22 -37.18 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m -66.74 -6.52 16.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.57 -47.47 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 78' ' ' LYS . 7.6 p -64.16 -17.68 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.495 ' CE ' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -77.45 10.38 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.495 ' N ' ' CE ' ' A' ' 82' ' ' MET . 0.1 OUTLIER -82.11 -53.29 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.8 mp -52.38 -54.45 31.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -141.6 154.88 45.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.8 m -69.29 144.05 53.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.02 83.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 89' ' ' SER . 54.4 Cg_endo -69.76 -44.78 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' PRO . 57.5 p 36.65 44.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.3 m -142.5 126.47 17.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.2 -62.58 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -37.3 -47.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -56.48 -52.97 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.59 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -58.23 -55.25 37.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.486 ' HA ' HD12 ' A' ' 30' ' ' LEU . 76.1 m -53.47 -58.79 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -43.19 -39.81 3.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.625 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 76.3 t90 -70.95 -51.99 22.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 27' ' ' CYS . 77.1 mt -44.22 -40.68 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -90.12 -28.48 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.21 15.13 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.561 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 7.1 t -118.36 -37.11 3.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.32 -12.22 0.91 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -110.1 81.08 2.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.8 14.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.322 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -90.44 -32.65 16.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.619 ' OH ' HG13 ' A' ' 54' ' ' VAL . 11.1 m-85 -73.2 -24.59 60.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -84.97 -19.02 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -87.09 -34.35 19.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 HD12 ' A' ' 46' ' ' LEU . 67.2 mt -54.43 -58.95 5.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.418 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 6.3 t80 -56.13 -38.89 71.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -59.42 -28.14 66.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -95.28 13.89 24.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 56.34 43.14 26.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.448 HD12 HD23 ' A' ' 41' ' ' LEU . 33.3 mt -92.43 -30.3 15.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.551 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.7 m-85 -58.64 160.76 9.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.7 Cg_endo -69.79 157.56 92.03 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.344 -0.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.551 HG12 ' CE2' ' A' ' 47' ' ' PHE . 26.3 pt -107.65 168.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -76.6 91.47 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.519 HD12 ' HB2' ' A' ' 73' ' ' LEU . 46.7 mm -59.01 -51.9 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.5 p -53.82 -25.92 21.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.707 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.7 tm? -75.28 -51.93 12.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.619 HG13 ' OH ' ' A' ' 38' ' ' TYR . 78.6 t -49.77 -24.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' ASP . 36.0 mttt -86.3 -55.65 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.45 ' HD3' ' CD2' ' A' ' 53' ' ' LEU . 8.3 ptm180 -53.55 -41.63 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HG3' HD11 ' A' ' 53' ' ' LEU . 6.9 mm-40 -73.61 -34.44 65.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -105.23 28.92 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -53.22 -24.52 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.49 ' CE2' ' HG ' ' A' ' 61' ' ' LEU . 46.5 p90 -57.74 -42.06 83.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.654 ' HB2' HD11 ' A' ' 66' ' ' ILE . 47.5 mt -52.69 166.0 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -89.69 166.71 13.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -53.42 -48.27 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -61.44 -53.73 52.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.34 70.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.654 HD11 ' HB2' ' A' ' 61' ' ' LEU . 11.9 mm -62.65 -57.99 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.65 -48.65 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.692 ' HB1' ' NH2' ' A' ' 72' ' ' ARG . . . -59.15 -47.01 86.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.47 -43.54 98.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.28 -41.29 90.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 6.0 mtp-105 -47.46 -22.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.692 ' NH2' ' HB1' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -93.53 -49.65 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.54 HD11 HG11 ' A' ' 54' ' ' VAL . 33.4 mt -53.42 -52.59 58.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.526 ' CG ' ' N ' ' A' ' 75' ' ' THR . 2.0 p30 -54.21 -54.01 45.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.526 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 50.5 m -46.07 -28.57 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.59 HD21 ' HB3' ' A' ' 26' ' ' ALA . 90.1 mt -91.06 -36.72 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -49.24 -28.34 4.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HA ' HG12 ' A' ' 81' ' ' VAL . 27.1 pttt -98.2 -35.54 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -72.34 -6.13 41.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.15 -8.72 15.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 78' ' ' LYS . 4.2 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.855 0.36 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.31 -57.96 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.29 -53.19 6.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -47.45 -51.78 19.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.918 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -59.98 -49.61 76.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.3 m -53.53 -56.54 16.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 17.2 t0 -48.37 -30.27 4.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.496 ' CZ3' HG21 ' A' ' 33' ' ' THR . 88.1 t90 -78.13 -60.01 2.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' A' ' 38' ' ' TYR . 29.5 mt -41.27 -37.91 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -87.29 -35.62 18.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 28' ' ' ASP . . . -89.41 14.55 11.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.496 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 11.6 t -116.26 -32.43 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.63 -14.09 2.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -107.52 80.72 0.96 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -3.95 13.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.385 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -92.4 -38.9 11.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.665 ' HA ' HD12 ' A' ' 41' ' ' LEU . 8.2 m-85 -63.86 -26.01 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.44 -14.63 45.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -92.14 -41.57 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 38' ' ' TYR . 13.4 mt -47.83 -44.71 29.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -71.12 -34.16 70.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -63.03 -22.03 66.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -99.3 1.53 44.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 69.25 45.49 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.3 mt -95.94 -28.93 14.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.543 ' CE2' HG12 ' A' ' 49' ' ' ILE . 8.1 m-85 -59.57 160.88 12.35 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.73 158.77 90.55 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.353 -0.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.604 HD11 HD22 ' A' ' 73' ' ' LEU . 38.8 pt -104.78 175.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 54' ' ' VAL . 53.1 m-20 -85.92 96.55 9.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.439 HD12 ' HB2' ' A' ' 73' ' ' LEU . 51.3 mm -63.25 -63.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 p -42.19 -26.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -79.84 -48.71 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.689 HG11 HD11 ' A' ' 73' ' ' LEU . 91.8 t -48.85 -27.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -89.21 -46.94 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttt85 -55.82 -39.53 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -77.99 -42.91 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -96.32 32.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -28.12 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -54.65 -44.81 73.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.5 mt -45.2 161.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.946 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.54 161.22 22.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -52.21 -48.15 65.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -61.61 -46.72 88.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.07 84.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.2 mm -67.0 -64.97 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -42.4 -36.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.28 -55.97 8.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.8 tp -56.49 -45.08 81.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 41.3 t -58.85 -40.87 85.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 89.3 mtt180 -59.17 -19.09 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.481 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 22.8 mmt-85 -92.95 -45.2 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.689 HD11 HG11 ' A' ' 54' ' ' VAL . 31.5 mt -61.31 -56.5 19.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -47.36 -43.58 23.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.47 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.0 m -50.3 -42.75 53.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.918 HD21 ' HB3' ' A' ' 26' ' ' ALA . 47.8 mt -80.21 -34.54 37.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -49.8 -32.68 14.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -98.21 -30.56 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.75 -6.7 57.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -98.15 -40.52 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' ' CD2' ' A' ' 76' ' ' LEU . . . -56.42 -52.74 63.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -46.52 -53.5 11.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -47.69 -60.04 2.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 1.119 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -53.37 -59.28 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.519 ' HA ' HD12 ' A' ' 30' ' ' LEU . 31.3 m -47.43 -61.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -42.15 -34.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.597 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 91.7 t90 -76.3 -60.86 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 38' ' ' TYR . 15.0 mt -39.39 -35.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -87.57 -38.16 16.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.32 7.14 23.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.458 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 7.4 t -109.91 -34.99 6.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.9 -10.87 1.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -109.81 78.71 1.28 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.903 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -4.67 14.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 38' ' ' TYR . 10.5 pm0 -91.62 -35.68 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.695 ' OH ' HG13 ' A' ' 54' ' ' VAL . 4.6 m-85 -64.36 -27.05 68.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -89.57 -15.07 33.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -88.33 -37.61 15.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.618 ' HA ' HD12 ' A' ' 46' ' ' LEU . 13.8 mt -56.69 -49.85 73.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 76' ' ' LEU . 19.8 t80 -64.1 -32.63 74.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.83 -34.12 77.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -87.82 11.87 14.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 62.82 44.16 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 41' ' ' LEU . 79.0 mt -94.45 -30.55 14.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.51 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.3 m-85 -62.93 160.88 34.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.643 0.735 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.74 159.57 89.42 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.749 -1.771 . . . . 0.0 112.325 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.51 HG12 ' CE2' ' A' ' 47' ' ' PHE . 13.0 pt -109.65 173.71 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 54' ' ' VAL . 34.5 m-20 -82.54 99.56 9.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.634 HD11 ' ND2' ' A' ' 77' ' ' ASN . 50.3 mm -66.73 -62.49 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' ILE . 77.5 p -38.0 -37.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.85 -49.17 26.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.868 HG11 HD11 ' A' ' 73' ' ' LEU . 26.1 t -44.64 -35.23 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -81.93 -49.22 10.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -52.5 -42.41 64.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -69.67 -46.69 65.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -99.07 40.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -25.2 65.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 32.5 p90 -55.0 -43.78 73.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 37.6 mt -43.13 163.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -85.94 176.5 8.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.17 -41.85 98.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.92 -45.68 77.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.411 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -60.67 -42.47 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 mm -70.3 -54.11 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.24 -41.16 60.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.39 -59.95 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.4 tp -44.57 -46.69 10.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 44.6 t -61.35 -44.34 97.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 27.8 mtp180 -57.97 -15.93 10.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.597 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 17.2 mmt180 -93.53 -47.28 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.868 HD11 HG11 ' A' ' 54' ' ' VAL . 68.5 mt -61.58 -62.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -40.6 -42.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.459 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 97.0 m -51.78 -50.16 61.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.119 HD21 ' HB3' ' A' ' 26' ' ' ALA . 35.4 mt -69.71 -36.06 75.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.634 ' ND2' HD11 ' A' ' 51' ' ' ILE . 9.4 m-80 -51.52 -60.22 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.427 ' HA ' HG12 ' A' ' 81' ' ' VAL . 59.0 pttt -65.09 -23.74 67.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.71 -22.9 45.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.16 -29.06 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 78' ' ' LYS . 11.5 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.32 -49.29 34.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -47.54 -49.54 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -55.44 -45.99 76.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.904 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -60.76 -54.55 43.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.466 ' HA ' HD12 ' A' ' 30' ' ' LEU . 89.7 m -52.79 -58.58 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -44.63 -41.42 6.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 87.6 t90 -70.23 -62.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 38' ' ' TYR . 9.1 mt -41.51 -36.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -88.16 -28.18 21.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -95.03 7.41 46.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' TRP . 9.1 t -108.87 -37.6 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.87 -11.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.461 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' LEU . 41.5 m-85 -112.8 80.46 3.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.661 0.744 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.73 16.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -88.6 -35.34 16.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.663 ' OH ' HG22 ' A' ' 54' ' ' VAL . 6.9 m-85 -65.54 -27.73 68.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.85 -21.99 27.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -81.02 -34.84 32.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.576 HD23 HD12 ' A' ' 46' ' ' LEU . 34.9 mt -54.5 -48.93 71.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -65.78 -35.53 80.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -60.16 -30.21 69.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -94.83 4.28 54.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 64.92 46.27 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.576 HD12 HD23 ' A' ' 41' ' ' LEU . 32.4 mt -93.02 -27.38 17.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.512 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 15.0 m-85 -60.8 159.58 25.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.2 Cg_endo -69.73 160.57 87.71 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 -1.806 . . . . 0.0 112.355 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.404 HG12 ' CE2' ' A' ' 47' ' ' PHE . 21.9 pt -113.71 170.97 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.767 ' CG ' HD23 ' A' ' 53' ' ' LEU . 4.8 t0 -83.33 95.0 8.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 29.7 mm -55.95 -40.33 62.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.9 p -55.1 -34.53 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.767 HD23 ' CG ' ' A' ' 50' ' ' ASP . 4.3 mm? -68.17 -43.39 78.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.663 HG22 ' OH ' ' A' ' 38' ' ' TYR . 72.4 t -48.57 -41.15 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 59' ' ' ASP . 4.2 mtpm? -78.98 -41.29 29.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -60.14 -30.95 69.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.54 -42.56 12.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.425 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -104.19 34.03 3.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.799 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -51.32 -32.87 26.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 48.7 p90 -51.23 -45.14 61.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.5 mt -41.66 163.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.01 163.73 14.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -51.9 -44.99 64.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -65.26 -43.82 90.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.08 99.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 mm -68.08 -35.75 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.1 -41.39 90.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.36 72.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.455 ' O ' ' CD2' ' A' ' 73' ' ' LEU . 42.6 tp -64.67 -52.74 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.1 t -56.02 -33.11 64.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.452 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 54.0 mtp85 -60.11 -18.37 46.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.584 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 8.8 mpt_? -95.89 -39.35 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.1 mm? -67.32 -52.46 40.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.452 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 0.9 OUTLIER -52.42 -42.86 64.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.416 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 45.3 m -55.73 -31.44 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.904 HD21 ' HB3' ' A' ' 26' ' ' ALA . 66.4 mt -85.54 -32.19 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -57.87 -30.28 65.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -98.18 -23.23 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.49 -9.28 56.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.89 -36.31 9.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.9 75.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -51.64 -49.13 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -55.7 -47.87 76.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.615 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -62.88 -60.52 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.476 ' HA ' HD12 ' A' ' 30' ' ' LEU . 73.8 m -52.94 -58.67 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -45.3 -40.86 8.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.572 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 91.9 t90 -70.7 -57.86 4.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 38' ' ' TYR . 11.5 mt -45.46 -39.39 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.46 ' O ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.92 -17.25 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -109.49 14.5 23.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.7 t -117.15 -40.25 3.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.166 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.425 ' N ' HG23 ' A' ' 33' ' ' THR . . . 154.97 -16.98 0.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -112.58 83.32 5.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.647 0.736 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.23 33.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 2.231 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -70.19 -30.63 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.62 ' HB3' HD22 ' A' ' 30' ' ' LEU . 9.8 m-85 -75.14 -18.85 60.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.79 -21.2 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -87.96 -40.42 13.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.747 HD23 HD12 ' A' ' 46' ' ' LEU . 18.1 mt -43.14 -46.53 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -69.22 -37.33 78.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -60.85 -28.79 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -92.53 1.63 57.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 65.02 48.99 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.747 HD12 HD23 ' A' ' 41' ' ' LEU . 75.3 mt -99.03 -30.23 12.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.525 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.1 m-85 -57.0 160.62 5.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.75 159.8 89.03 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.349 -0.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.525 HG12 ' CE2' ' A' ' 47' ' ' PHE . 18.6 pt -105.2 174.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.585 ' O ' HG23 ' A' ' 54' ' ' VAL . 9.6 m-20 -81.56 89.72 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.558 HD11 ' ND2' ' A' ' 77' ' ' ASN . 43.6 mm -59.17 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -41.21 -36.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.633 ' O ' HD13 ' A' ' 53' ' ' LEU . 1.3 tm? -71.98 -44.6 63.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.69 HG11 HD11 ' A' ' 73' ' ' LEU . 69.8 t -46.58 -29.48 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -79.87 -41.45 26.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -61.58 -42.21 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.04 -45.04 75.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.413 ' HB3' HD12 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -105.09 50.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -31.64 71.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 14.5 p90 -55.7 -39.76 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.598 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 19.8 mt -46.74 164.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -92.06 164.96 13.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -52.05 -48.5 64.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -58.22 -52.18 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.9 -45.96 82.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.406 ' HA ' HD13 ' A' ' 66' ' ' ILE . 15.4 mm -60.85 -55.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.83 -43.24 72.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -51.23 65.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 tp -57.02 -45.24 83.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 34.9 t -62.06 -47.23 85.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -43.65 -26.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.572 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 1.2 mpt_? -88.9 -46.95 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.69 HD11 HG11 ' A' ' 54' ' ' VAL . 30.0 mt -56.48 -58.13 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -46.45 -45.4 18.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 50.9 m -53.02 -41.87 65.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 26' ' ' ALA . 93.1 mt -79.54 -27.71 41.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.558 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.0 m-80 -59.08 -31.97 69.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -98.01 -31.45 12.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.74 -6.49 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.83 -45.73 4.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.846 0.355 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.71 ' HB2' ' HB3' ' A' ' 79' ' ' CYS . . . -53.49 -68.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ALA . 1.1 tmtp? -38.32 -57.71 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -43.3 -52.47 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.574 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -58.82 -53.51 57.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.6 m -47.08 -51.27 18.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -47.57 -37.83 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.612 ' CZ3' HG21 ' A' ' 33' ' ' THR . 84.3 t90 -65.18 -53.6 42.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.887 HD13 ' HB3' ' A' ' 38' ' ' TYR . 76.8 mt -46.1 -38.99 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -86.73 -26.6 24.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.64 5.87 50.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.612 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 13.0 t -111.0 -36.63 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.39 -10.82 1.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' LEU . 44.3 m-85 -118.13 81.11 16.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 110.862 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -26.85 27.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -64.74 -32.66 74.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.915 ' OH ' HG22 ' A' ' 54' ' ' VAL . 2.7 m-85 -66.09 -30.17 70.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -84.67 -26.96 27.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -73.76 -33.17 64.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 38' ' ' TYR . 19.6 mt -58.7 -50.5 73.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -63.74 -32.22 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -95.84 11.31 34.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 60.4 48.37 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 41' ' ' LEU . 60.6 mt -97.18 -29.72 13.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.536 ' CE2' HG12 ' A' ' 49' ' ' ILE . 11.9 m-85 -60.48 160.07 20.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.696 0.76 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.9 Cg_endo -69.77 163.49 81.73 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.348 -0.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.536 HG12 ' CE2' ' A' ' 47' ' ' PHE . 8.9 pt -112.84 177.16 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.48 90.12 8.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.807 HD11 ' ND2' ' A' ' 77' ' ' ASN . 28.6 mm -52.3 -50.86 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.3 p -48.7 -43.02 36.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -49.04 78.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.915 HG22 ' OH ' ' A' ' 38' ' ' TYR . 47.0 t -41.91 -43.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -72.86 -38.06 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -61.72 -39.1 90.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -79.04 -44.53 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -101.12 44.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -26.06 66.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.826 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -59.11 -40.6 85.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.0 mt -51.56 163.45 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.33 162.61 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -51.77 -49.61 62.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -46.31 89.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.54 88.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.21 -61.05 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -38.2 -49.8 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.24 -47.96 83.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.467 ' CD1' HD21 ' A' ' 73' ' ' LEU . 35.5 tp -58.74 -51.07 71.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 35.4 t -54.67 -48.8 71.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -41.36 -29.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.552 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.1 OUTLIER -87.15 -50.1 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.1 mm? -53.08 -59.62 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -47.72 -45.39 28.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.6 m -51.21 -32.36 23.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 26' ' ' ALA . 82.3 mt -90.32 -28.08 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.807 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.7 m-80 -52.58 -34.89 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -98.21 -46.23 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.71 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 1.6 m -53.23 -16.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.76 -53.32 4.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.461 HG23 ' H ' ' A' ' 81' ' ' VAL . 2.1 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.452 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -71.46 -56.21 6.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -44.01 -57.42 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -40.6 -48.34 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.39 -38.26 74.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 67.8 m -60.25 -44.67 95.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -57.35 -32.36 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 33' ' ' THR . 91.7 t90 -75.81 -61.74 1.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 38' ' ' TYR . 91.5 mt -35.78 -39.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -88.06 -33.09 18.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -90.13 11.19 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.55 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 13.8 t -114.31 -37.97 4.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.92 -18.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.427 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.625 ' CE2' HD13 ' A' ' 69' ' ' LEU . 9.1 m-85 -107.63 78.79 0.74 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.718 . . . . 0.0 110.886 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -12.53 33.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.3 pm0 -82.08 -29.52 31.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.743 ' OH ' HG22 ' A' ' 54' ' ' VAL . 5.4 m-85 -73.14 -25.84 60.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -82.72 -18.17 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -87.73 -34.9 18.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 38' ' ' TYR . 18.2 mt -56.96 -44.22 82.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 80' ' ' ALA . 42.4 t80 -72.14 -29.71 64.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -66.46 -31.13 71.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.38 0.08 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 70.9 40.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.85 -32.11 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.492 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 7.8 m-85 -53.91 160.89 1.96 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.618 0.723 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.75 168.63 66.76 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.324 0.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.449 HG12 ' CE2' ' A' ' 47' ' ' PHE . 20.5 pt -119.21 168.69 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -77.59 85.72 3.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.565 HD11 ' OD1' ' A' ' 77' ' ' ASN . 37.7 mm -46.7 -56.22 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -47.71 -39.29 17.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' HA ' HD22 ' A' ' 53' ' ' LEU . 1.1 tm? -62.65 -47.0 85.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.864 HG21 HD13 ' A' ' 73' ' ' LEU . 51.0 t -48.24 -28.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.54 -47.33 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -57.7 -42.48 83.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -64.68 -51.41 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.475 ' O ' HD11 ' A' ' 66' ' ' ILE . 3.6 m-70 -101.6 52.61 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.38 -21.31 62.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 37.2 p90 -64.07 -36.76 85.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 14.5 mt -49.69 166.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -90.16 155.03 19.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 23.3 ttm180 -42.03 -61.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -54.8 -38.8 67.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.0 95.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.475 HD11 ' O ' ' A' ' 58' ' ' HIS . 20.5 mm -61.57 -53.81 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 63' ' ' ARG . 3.8 mp0 -50.66 -54.47 22.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.36 -43.24 67.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.625 HD13 ' CE2' ' A' ' 35' ' ' PHE . 44.8 tp -61.38 -36.7 81.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' ARG . 46.2 t -72.47 -36.32 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.426 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 27.2 mmm180 -42.95 -24.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -95.78 -55.19 3.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.864 HD13 HG21 ' A' ' 54' ' ' VAL . 29.6 mt -50.17 -53.59 26.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.432 ' CG ' ' N ' ' A' ' 75' ' ' THR . 5.6 p30 -46.03 -49.19 16.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.432 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 76.5 m -58.06 -60.91 3.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ALA . 35.9 mt -49.48 -46.75 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.565 ' OD1' HD11 ' A' ' 51' ' ' ILE . 3.5 m120 -46.9 -51.82 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -83.29 -11.24 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -92.44 -16.88 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . . . -93.06 -35.1 13.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.066 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.502 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -58.73 -55.41 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -47.09 -48.34 22.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -54.39 -50.18 68.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.36 -27.26 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.2 m -70.08 -52.09 26.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -48.85 -33.16 10.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.575 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 79.7 t90 -73.25 -53.38 11.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 38' ' ' TYR . 72.2 mt -40.98 -38.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -91.52 -36.31 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.85 -2.42 36.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.6 t -100.5 -35.3 9.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.72 -10.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.64 81.58 1.47 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -4.5 14.13 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -91.25 -35.68 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.841 ' OH ' HG13 ' A' ' 54' ' ' VAL . 12.9 m-85 -70.53 -24.15 62.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.13 -14.48 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -91.84 -36.08 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -54.74 -45.7 74.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.502 ' CZ ' ' HB1' ' A' ' 23' ' ' ALA . 29.1 t80 -68.45 -31.18 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.61 -22.54 66.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -99.98 5.4 45.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 62.32 50.5 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.2 mt -98.6 -29.47 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.549 ' CE2' HG12 ' A' ' 49' ' ' ILE . 11.3 m-85 -57.85 160.11 8.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.835 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.4 Cg_endo -69.75 156.87 92.55 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.31 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.549 HG12 ' CE2' ' A' ' 47' ' ' PHE . 23.3 pt -108.77 171.56 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.25 96.27 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.731 HD11 ' ND2' ' A' ' 77' ' ' ASN . 34.6 mm -59.16 -44.74 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.0 p -59.4 -32.17 69.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.829 HD13 ' HD3' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -73.95 -38.72 64.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.841 HG13 ' OH ' ' A' ' 38' ' ' TYR . 45.2 t -58.2 -35.72 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -79.39 -48.98 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.829 ' HD3' HD13 ' A' ' 53' ' ' LEU . 7.6 ptm180 -60.44 -36.09 77.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.6 -37.97 55.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -106.4 33.57 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -32.45 58.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -53.04 -37.15 61.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.8 mt -49.43 165.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -85.22 163.87 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -55.63 -48.75 74.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -43.44 98.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.43 -53.79 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.8 mm -60.05 -55.41 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -47.5 -56.94 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.46 77.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -45.99 -44.66 15.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.3 t -63.32 -46.21 87.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -43.98 -23.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.575 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 6.0 mmt180 -93.33 -41.63 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.772 HD11 HG11 ' A' ' 54' ' ' VAL . 56.3 mt -59.95 -54.74 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -50.47 -41.16 52.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.8 m -56.35 -36.41 68.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 23' ' ' ALA . 77.8 mt -85.95 -29.04 23.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.731 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.8 m-80 -53.13 -34.36 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 79' ' ' CYS . 4.4 pttm -98.25 -43.68 6.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m -62.15 -8.1 5.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -97.83 -26.83 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 77' ' ' ASN . 1.9 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.83 0.347 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.66 -41.89 74.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -47.51 54.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -57.86 -45.56 86.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.14 -57.84 9.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.681 ' HA ' HD12 ' A' ' 30' ' ' LEU . 35.5 m -51.61 -51.11 58.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -55.84 -40.97 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' THR . 77.6 t90 -69.86 -40.04 76.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.796 HD22 ' CB ' ' A' ' 38' ' ' TYR . 32.6 mt -54.62 -40.11 68.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -89.57 -16.14 31.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.33 -10.87 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.9 t -91.92 -33.19 14.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.84 -5.58 1.76 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.492 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 49.5 m-85 -113.12 83.54 6.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.674 0.749 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -10.51 28.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -83.93 -34.21 24.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.796 ' CB ' HD22 ' A' ' 30' ' ' LEU . 20.4 m-85 -73.64 -23.4 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -85.14 -14.24 47.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -94.66 -40.72 9.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 mt -46.46 -49.02 18.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.578 ' CD2' HD22 ' A' ' 76' ' ' LEU . 58.3 t80 -67.19 -38.31 85.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -57.9 -34.44 69.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -85.26 -10.19 56.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 73.87 47.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.7 mt -99.28 -17.4 18.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.5 m-85 -61.85 160.34 29.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.9 Cg_endo -69.76 158.69 90.74 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.313 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.535 HG12 ' CE2' ' A' ' 47' ' ' PHE . 9.8 pt -107.07 175.36 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.422 ' HB3' HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -83.79 94.59 8.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.642 HD11 ' ND2' ' A' ' 77' ' ' ASN . 42.6 mm -59.35 -38.97 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.6 p -59.58 -40.46 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.422 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -68.16 -30.48 69.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -67.84 -35.45 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HD2' HG22 ' A' ' 51' ' ' ILE . 6.8 mtpp -84.6 -35.73 22.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.411 ' NH1' ' CD1' ' A' ' 53' ' ' LEU . 23.6 ttt-85 -72.26 -21.73 61.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.04 -44.02 12.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 3.7 m-70 -100.75 30.28 4.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.4 -39.61 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -48.11 -41.21 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.2 mt -46.4 160.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -90.68 155.19 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -44.05 -50.0 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -59.58 -48.83 80.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.28 80.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.3 mm -65.82 -59.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.188 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -40.86 -47.05 2.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.65 -40.1 76.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.76 -52.56 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 36.8 t -65.3 -35.12 80.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.435 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 6.0 mmp_? -48.4 -20.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.416 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 10.4 mpt_? -94.91 -42.44 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.4 mm? -64.43 -58.83 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.7 p30 -45.02 -42.72 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.8 m -59.73 -40.57 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.578 HD22 ' CD2' ' A' ' 42' ' ' TYR . 73.8 mt -74.28 -36.4 63.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.642 ' ND2' HD11 ' A' ' 51' ' ' ILE . 4.1 m-80 -52.43 -52.69 52.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.408 ' HA ' HG12 ' A' ' 81' ' ' VAL . 45.4 pttt -73.02 -9.59 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.78 -25.58 18.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.28 -29.08 16.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 77' ' ' ASN . 13.5 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.93 -42.41 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -54.92 -50.72 68.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.12 -45.92 72.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.594 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -63.98 -58.28 7.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m -52.95 -56.81 13.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -47.23 -35.98 8.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 89.1 t90 -67.46 -62.45 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.562 HD11 HD11 ' A' ' 76' ' ' LEU . 21.7 mt -38.83 -35.36 0.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 ttt-85 -86.59 -37.92 17.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -88.6 11.17 18.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' TRP . 6.4 t -113.62 -38.29 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.47 -19.65 1.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' LEU . 26.6 m-85 -107.53 79.0 0.74 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.88 37.76 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 38' ' ' TYR . 14.4 pm0 -76.63 -32.53 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.734 ' OH ' HG13 ' A' ' 54' ' ' VAL . 3.1 m-85 -66.72 -31.36 71.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -80.32 -22.35 41.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -79.79 -39.79 30.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.4 mt -50.3 -45.52 54.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.447 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 4.1 t80 -68.19 -37.22 80.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -59.27 -27.81 66.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -93.46 7.35 44.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 63.32 43.91 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.5 mt -94.06 -30.36 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 9.3 m-85 -59.24 160.56 11.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.73 163.45 81.72 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.33 -0.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.9 pt -110.65 173.52 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.96 88.41 6.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 36.9 mm -52.46 -63.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.7 p -42.38 -36.97 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.818 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.16 -53.37 25.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.805 HG11 HD11 ' A' ' 73' ' ' LEU . 55.9 t -38.5 -44.44 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -64.77 -45.23 87.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -62.82 -42.5 99.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -65.01 -49.35 70.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 5.7 m-70 -98.32 43.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -56.37 -35.13 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 25.7 p90 -50.67 -36.64 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.441 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 17.8 mt -50.75 164.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -95.59 163.05 13.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -47.6 -50.09 25.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -58.57 -46.03 87.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.417 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -61.39 -43.63 98.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.2 mm -64.71 -58.82 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.47 -52.19 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.86 -53.94 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.8 tp -44.57 -48.69 10.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ARG . 43.7 t -56.48 -48.38 77.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 70' ' ' CYS . 18.7 mmt180 -36.75 -42.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.555 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -77.94 -42.95 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.805 HD11 HG11 ' A' ' 54' ' ' VAL . 60.2 mt -58.48 -57.22 13.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.2 p30 -51.06 -47.1 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.416 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 87.0 m -48.88 -43.62 39.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 26' ' ' ALA . 35.1 mt -75.32 -34.54 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -53.72 -33.95 57.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -98.15 -31.07 12.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.03 -12.6 60.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -94.95 -42.35 8.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -70.0 -58.39 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.49 -46.01 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -47.14 -55.72 7.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.595 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -59.84 -57.37 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.608 ' HA ' HD12 ' A' ' 30' ' ' LEU . 64.3 m -44.83 -57.99 3.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -43.68 -34.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.592 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 87.5 t90 -76.08 -57.37 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.638 HD22 ' CB ' ' A' ' 38' ' ' TYR . 13.5 mt -43.5 -38.76 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -87.12 -23.81 24.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -102.07 13.7 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' TRP . 6.7 t -115.24 -40.58 3.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 33' ' ' THR . . . 151.11 -11.69 0.79 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -113.62 84.47 8.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.92 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -22.02 32.87 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -68.98 -31.76 70.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.783 ' OH ' HG13 ' A' ' 54' ' ' VAL . 13.8 m-85 -75.59 -25.37 56.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -86.42 -21.1 27.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -86.83 -42.21 13.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 38' ' ' TYR . 11.0 mt -49.07 -38.9 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.459 ' CZ ' ' HB1' ' A' ' 23' ' ' ALA . 22.6 t80 -78.04 -36.46 48.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.7 -25.09 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.9 0.11 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 66.39 48.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.3 mt -100.0 -30.77 11.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.509 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 9.6 m-85 -54.01 160.45 2.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.78 160.51 87.95 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.356 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.597 HD11 HD22 ' A' ' 73' ' ' LEU . 29.2 pt -112.0 176.61 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.421 ' O ' HG23 ' A' ' 54' ' ' VAL . 1.5 m-20 -83.21 100.09 10.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.777 HD11 ' ND2' ' A' ' 77' ' ' ASN . 27.4 mm -63.65 -64.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.2 p -39.43 -39.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' VAL . 4.0 mm? -65.34 -51.79 58.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.89 HG11 HD11 ' A' ' 73' ' ' LEU . 75.2 t -37.75 -33.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ASP . 26.8 mttp -78.16 -51.6 9.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -55.7 -43.46 76.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -71.31 -44.57 64.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -105.09 40.85 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -65.74 -11.44 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -67.27 -39.89 86.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.2 mt -49.92 167.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.15 166.45 13.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -53.53 -46.94 70.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -60.12 -51.67 68.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.65 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.8 mm -60.99 -51.56 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -47.64 -54.78 10.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -66.1 -54.53 24.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -39.39 -46.24 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.68 -39.57 93.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 17.3 mmt180 -52.11 -26.51 11.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.592 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 11.4 mmt180 -87.57 -46.24 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.89 HD11 HG11 ' A' ' 54' ' ' VAL . 32.4 mt -55.84 -52.24 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.6 p30 -54.54 -42.17 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.489 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 96.2 m -54.14 -36.24 63.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 26' ' ' ALA . 28.7 mt -86.77 -30.42 21.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.777 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.9 m-80 -51.26 -32.85 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.475 ' HA ' HG12 ' A' ' 81' ' ' VAL . 47.0 pttt -98.31 -49.31 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 1.6 m -53.55 -15.35 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.26 -65.98 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' A' ' 78' ' ' LYS . 2.4 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB1' ' CE1' ' A' ' 42' ' ' TYR . . . -53.45 -45.44 69.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -44.31 -50.37 9.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -54.64 -55.95 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.78 -60.17 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.561 ' HA ' HD12 ' A' ' 30' ' ' LEU . 39.4 m -49.0 -49.06 42.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -52.76 -30.45 32.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.496 ' O ' ' N ' ' A' ' 32' ' ' ALA . 89.3 t90 -80.04 -59.12 2.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 27' ' ' CYS . 8.5 mt -42.63 -35.6 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -85.59 -25.29 26.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -104.83 13.63 30.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . 9.7 t -112.89 -40.62 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.423 ' N ' HG23 ' A' ' 33' ' ' THR . . . 152.27 -12.77 0.7 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.528 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 66.5 m-85 -109.77 85.72 4.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.892 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -15.4 37.18 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -80.38 -40.24 26.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.529 ' CB ' HD22 ' A' ' 30' ' ' LEU . 23.3 m-85 -68.82 -18.91 64.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -88.33 -19.05 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -93.14 -44.74 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 38' ' ' TYR . 52.9 mt -42.97 -50.59 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.666 ' CD2' HD22 ' A' ' 76' ' ' LEU . 41.6 t80 -63.92 -42.0 97.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.69 -21.4 60.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.23 5.3 48.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 61.02 47.38 7.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.53 -26.99 13.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.2 m-85 -56.0 160.86 4.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.7 Cg_endo -69.8 160.82 87.5 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.351 -0.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.671 HD11 HD13 ' A' ' 73' ' ' LEU . 14.3 pt -108.25 173.43 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.684 ' O ' HG23 ' A' ' 54' ' ' VAL . 31.8 p-10 -72.89 85.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.414 HD12 ' HB2' ' A' ' 73' ' ' LEU . 47.6 mm -59.72 -65.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.4 m -45.94 -32.14 2.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.7 ' O ' HD13 ' A' ' 53' ' ' LEU . 2.4 tm? -73.9 -39.71 63.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 50' ' ' ASP . 72.7 t -54.37 -25.41 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -81.79 -35.77 29.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.52 -39.15 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.47 -53.0 58.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -91.57 39.49 1.01 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -13.45 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -76.28 -31.84 58.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.72 164.37 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -88.68 173.34 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.417 ' HD3' ' C ' ' A' ' 63' ' ' ARG . 3.3 tmt_? -58.78 -44.8 90.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -64.25 -51.27 64.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.17 -53.37 43.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.3 mm -58.99 -42.94 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.04 -48.35 82.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.02 86.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 35' ' ' PHE . 27.6 tp -63.98 -50.83 67.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 13.8 t -65.5 -31.61 72.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -51.71 -21.2 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -96.42 -51.71 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.671 HD13 HD11 ' A' ' 49' ' ' ILE . 7.5 mt -52.96 -51.28 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' CG ' ' N ' ' A' ' 75' ' ' THR . 2.6 p30 -51.73 -46.14 63.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 35.8 m -59.7 -28.51 67.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.666 HD22 ' CD2' ' A' ' 42' ' ' TYR . 49.7 mt -82.47 -32.97 28.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.973 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -52.83 -61.51 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 79' ' ' CYS . 5.9 pttp -57.8 -34.0 69.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.5 t -70.92 -24.47 62.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.499 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -93.46 -21.83 19.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.973 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 79' ' ' CYS . . . -66.25 -65.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 23' ' ' ALA . 3.6 tppp? -36.37 -53.83 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -40.88 -54.37 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.972 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -58.4 -52.52 65.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.901 ' HA ' HD12 ' A' ' 30' ' ' LEU . 92.8 m -53.07 -60.8 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 28' ' ' ASP . 35.9 t0 -43.75 -39.66 3.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.575 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 87.6 t90 -69.12 -50.96 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.901 HD12 ' HA ' ' A' ' 27' ' ' CYS . 12.4 mt -46.5 -37.91 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -86.22 -31.55 21.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.72 0.86 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TRP . 11.8 t -106.21 -35.94 7.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.83 -10.42 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.542 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -113.4 82.01 5.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -16.62 37.49 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -76.95 -37.49 55.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.763 ' CB ' HD22 ' A' ' 30' ' ' LEU . 8.1 m-85 -66.12 -18.93 65.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.435 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -91.55 -22.24 20.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -86.93 -42.68 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.708 ' HA ' HD12 ' A' ' 46' ' ' LEU . 21.6 mt -49.3 -46.94 47.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -67.29 -38.27 84.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.28 -18.53 62.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -95.8 12.93 28.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 58.87 47.79 12.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 41' ' ' LEU . 95.0 mt -105.4 -27.17 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.537 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.3 m-85 -65.78 160.76 59.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.615 0.722 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.81 159.76 89.29 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.293 0.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.626 HD11 HD22 ' A' ' 73' ' ' LEU . 34.7 pt -108.18 177.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.34 93.95 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.818 HD11 ' ND2' ' A' ' 77' ' ' ASN . 50.9 mm -55.38 -64.21 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p -39.58 -38.09 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HG3' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -66.99 -48.37 68.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.729 HG21 HD13 ' A' ' 73' ' ' LEU . 33.1 t -42.66 -37.98 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -77.72 -34.22 52.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 53' ' ' LEU . 25.5 ttt85 -66.31 -37.39 85.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 53' ' ' LEU . 6.8 mt-10 -81.93 -39.39 23.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -105.27 32.58 4.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.37 -34.69 66.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -53.84 -40.66 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB2' HD11 ' A' ' 66' ' ' ILE . 23.7 mt -40.99 161.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.97 165.87 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -59.6 -41.8 91.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -48.55 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.25 82.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 61' ' ' LEU . 9.7 mm -62.83 -55.78 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -46.19 -55.93 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.46 47.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.5 tp -40.2 -41.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.946 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 40.6 t -68.61 -44.76 73.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.418 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 28.9 mmm180 -48.06 -25.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.575 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 11.5 mmm180 -89.17 -44.74 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.729 HD13 HG21 ' A' ' 54' ' ' VAL . 83.5 mt -58.34 -52.43 65.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.9 OUTLIER -51.86 -43.35 63.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.502 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.0 m -54.12 -33.81 58.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.972 HD21 ' HB3' ' A' ' 26' ' ' ALA . 51.3 mt -90.17 -26.5 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.818 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.0 m-80 -56.38 -34.16 66.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -98.11 -37.78 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 1.6 m -64.09 -6.54 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.67 -31.14 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.8 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.853 0.358 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 79' ' ' CYS . . . -54.81 -51.43 65.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -43.0 -61.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -38.54 -50.26 1.56 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.521 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -58.36 -50.77 72.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.84 -56.6 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -50.62 -33.44 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.525 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 90.2 t90 -73.53 -55.51 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 38' ' ' TYR . 27.9 mt -45.26 -38.06 5.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -87.32 -27.32 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.81 7.2 46.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.1 t -112.17 -41.25 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.417 ' N ' ' CG2' ' A' ' 33' ' ' THR . . . 154.89 -17.03 0.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' LEU . 49.0 m-85 -110.07 81.23 2.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.721 . . . . 0.0 110.919 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -20.12 35.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.728 2.285 . . . . 0.0 112.341 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -72.55 -35.96 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.696 ' HB3' HD13 ' A' ' 30' ' ' LEU . 3.6 m-85 -63.84 -28.14 69.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -84.13 -22.54 31.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.0 -42.29 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 mt -49.57 -45.25 47.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -69.33 -37.12 77.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.46 -27.28 67.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -94.17 6.12 49.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 63.21 46.28 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.9 mt -95.7 -32.12 12.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.523 ' CE2' HG12 ' A' ' 49' ' ' ILE . 8.1 m-85 -55.88 160.86 3.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.77 163.75 81.05 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.342 0.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.523 HG12 ' CE2' ' A' ' 47' ' ' PHE . 18.2 pt -110.65 172.42 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.75 92.11 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.7 HD11 ' ND2' ' A' ' 77' ' ' ASN . 42.7 mm -57.95 -62.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.4 p -43.13 -37.1 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.511 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -68.29 -44.52 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.623 HG13 ' OH ' ' A' ' 38' ' ' TYR . 61.8 t -51.17 -28.54 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -82.03 -45.17 15.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -58.21 -43.13 87.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -69.59 -48.9 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.414 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 3.9 m80 -97.09 36.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -58.55 -28.0 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.414 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 51.7 p90 -56.24 -41.95 76.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.8 mt -48.78 160.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.67 145.84 25.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -39.35 -50.37 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.3 -46.86 82.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.19 88.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.4 mm -67.26 -60.17 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -38.43 -43.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.811 ' HB1' ' NH2' ' A' ' 72' ' ' ARG . . . -65.37 -51.57 59.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.33 -49.3 76.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 52.4 t -58.6 -42.37 87.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.406 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 37.1 mtt180 -49.92 -30.16 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.811 ' NH2' ' HB1' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -88.27 -42.6 12.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.539 HD11 HG11 ' A' ' 54' ' ' VAL . 28.3 mt -58.79 -55.56 33.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.9 p30 -50.7 -40.94 55.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.462 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 49.5 m -53.55 -35.65 60.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 26' ' ' ALA . 48.0 mt -88.31 -24.84 23.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.7 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.8 m-80 -57.63 -33.69 68.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.778 ' HA ' HG12 ' A' ' 81' ' ' VAL . 16.3 pttm -98.21 -37.81 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 1.6 m -63.7 -6.22 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.25 -10.67 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.778 HG12 ' HA ' ' A' ' 78' ' ' LYS . 9.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.6 -60.7 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -37.1 -49.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -52.2 -48.24 65.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.822 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -64.01 -60.5 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.783 ' HA ' HD12 ' A' ' 30' ' ' LEU . 68.3 m -48.24 -56.64 7.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -45.69 -36.77 5.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.6 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 84.3 t90 -74.49 -58.05 3.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 27' ' ' CYS . 6.8 mt -42.82 -36.6 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.95 -23.21 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -104.34 13.63 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' TRP . 7.5 t -113.78 -40.44 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 33' ' ' THR . . . 153.53 -13.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE1' ' NE2' ' A' ' 58' ' ' HIS . 81.5 m-85 -114.11 82.55 7.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -16.51 37.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -75.67 -31.76 59.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.792 ' OH ' HG22 ' A' ' 54' ' ' VAL . 10.0 m-85 -73.37 -19.59 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.13 -18.46 27.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -90.85 -40.36 11.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 38' ' ' TYR . 10.6 mt -47.5 -44.22 25.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.5 -36.56 68.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.52 -20.49 65.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -100.02 5.97 45.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 62.23 45.28 6.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.65 -30.51 13.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.49 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 7.9 m-85 -54.21 160.88 2.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.835 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.76 171.05 55.48 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.338 0.007 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.754 HD11 HD22 ' A' ' 73' ' ' LEU . 17.6 pt -122.26 169.07 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -80.35 100.53 8.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.604 HD11 ' ND2' ' A' ' 77' ' ' ASN . 49.5 mm -63.46 -48.39 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 p -53.5 -19.46 3.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.554 HD21 HH21 ' A' ' 56' ' ' ARG . 0.3 OUTLIER -84.66 -49.98 8.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.87 HG11 HD11 ' A' ' 73' ' ' LEU . 70.0 t -46.45 -39.88 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -73.16 -27.72 61.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.554 HH21 HD21 ' A' ' 53' ' ' LEU . 1.3 tmm_? -72.04 -40.11 68.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -68.75 -49.19 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.514 ' NE2' ' CE1' ' A' ' 35' ' ' PHE . 6.7 m-70 -99.23 32.61 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.48 -22.99 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.508 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 54.5 p90 -67.67 -37.65 82.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.4 mt -42.27 164.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.23 153.84 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -48.76 -45.76 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.32 -46.97 86.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.12 -51.11 71.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 67' ' ' GLU . 17.7 mm -59.85 -60.44 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' ILE . 9.8 mt-10 -35.74 -47.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -69.33 -58.71 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.668 HD21 ' CG1' ' A' ' 54' ' ' VAL . 11.3 tp -38.03 -46.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 53.0 t -62.85 -40.04 96.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 68' ' ' ALA . 2.8 mmp_? -54.44 -20.56 7.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.6 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 17.3 mmt180 -96.27 -36.95 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.87 HD11 HG11 ' A' ' 54' ' ' VAL . 86.8 mt -68.34 -58.25 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -47.31 -44.53 23.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.5 m -50.8 -48.11 59.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.822 HD21 ' HB3' ' A' ' 26' ' ' ALA . 29.6 mt -72.81 -37.3 67.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.604 ' ND2' HD11 ' A' ' 51' ' ' ILE . 4.2 m-80 -54.51 -31.94 57.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -98.15 -23.1 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.02 -8.13 58.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -97.67 -38.68 9.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.882 0.372 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.63 68.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -44.5 -45.13 9.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.39 -55.04 36.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.838 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -54.07 -58.16 8.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.3 m -50.07 -56.14 12.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 18.1 t70 -48.92 -32.09 8.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' THR . 89.1 t90 -78.18 -62.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.455 HD22 ' HB3' ' A' ' 38' ' ' TYR . 11.7 mt -41.08 -36.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.54 -29.49 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -98.67 14.45 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.8 t -114.51 -38.71 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.14 -14.97 1.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -110.51 82.59 2.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -21.13 33.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 pm0 -70.82 -28.36 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.687 ' OH ' HG22 ' A' ' 54' ' ' VAL . 9.7 m-85 -77.92 -18.74 55.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.56 -19.45 22.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -88.7 -39.93 13.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 38' ' ' TYR . 11.6 mt -49.76 -43.69 48.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -72.56 -34.37 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -60.4 -30.93 69.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.33 5.48 49.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 63.33 48.22 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 41' ' ' LEU . 86.9 mt -96.27 -29.98 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.519 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.3 m-85 -54.61 160.34 2.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.81 160.49 88.07 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.344 0.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.519 HG12 ' CE2' ' A' ' 47' ' ' PHE . 37.3 pt -108.99 168.72 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.44 90.62 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.485 HD11 ' OD1' ' A' ' 77' ' ' ASN . 50.9 mm -54.47 -64.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -40.2 -31.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.48 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -67.15 -49.1 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.943 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.855 HG21 ' CD1' ' A' ' 73' ' ' LEU . 54.7 t -43.96 -34.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -76.5 -42.85 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -59.26 -43.02 92.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -76.28 -44.41 37.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -100.65 36.2 1.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -41.79 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -45.28 -43.21 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.5 mt -44.07 160.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -91.69 158.68 16.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -48.17 -44.95 33.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -65.59 -45.24 83.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.34 89.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 67' ' ' GLU . 20.6 mm -65.4 -62.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' ILE . 9.8 mt-10 -35.79 -45.37 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.94 67.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.437 HD21 ' CG1' ' A' ' 54' ' ' VAL . 27.5 tp -57.48 -42.31 82.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.5 t -66.56 -41.8 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.459 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 43.9 mtt180 -45.9 -26.42 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -90.59 -55.27 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.855 ' CD1' HG21 ' A' ' 54' ' ' VAL . 13.5 mt -50.09 -55.77 13.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.9 p30 -49.07 -49.0 43.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.451 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 53.7 m -52.39 -35.43 51.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.838 HD21 ' HB3' ' A' ' 26' ' ' ALA . 42.2 mt -81.1 -42.42 21.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.485 ' OD1' HD11 ' A' ' 51' ' ' ILE . 4.2 m120 -50.19 -27.54 6.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.58 -41.18 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.2 t -72.09 -5.24 33.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.512 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -98.0 -24.75 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.831 0.348 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.71 -61.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -38.81 -43.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -53.76 -48.55 69.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.11 -58.67 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.831 ' HA ' HD12 ' A' ' 30' ' ' LEU . 65.1 m -52.83 -60.91 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 5.4 t70 -41.58 -40.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.502 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 90.4 t90 -72.77 -48.22 40.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 27' ' ' CYS . 16.2 mt -49.69 -41.49 43.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -87.77 -25.71 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 28' ' ' ASP . . . -92.88 8.16 40.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' TRP . 4.8 t -115.08 -37.44 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.86 -13.9 0.66 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -109.15 82.49 1.95 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -18.58 36.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -75.51 -40.72 56.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.694 ' HB3' HD22 ' A' ' 30' ' ' LEU . 6.4 m-85 -61.6 -28.15 69.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.06 -13.57 46.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -91.2 -44.09 9.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.1 mt -46.76 -41.25 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -73.33 -37.26 66.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.52 -24.1 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -97.41 -0.38 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 68.18 50.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.42 -31.57 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.503 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 12.9 m-85 -55.03 159.88 3.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.671 0.748 . . . . 0.0 110.83 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.78 162.84 83.34 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.327 0.014 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.084 HD11 HD12 ' A' ' 73' ' ' LEU . 21.8 pt -114.4 167.16 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -80.2 91.01 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.678 HD11 ' OD1' ' A' ' 77' ' ' ASN . 42.3 mm -52.66 -41.45 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.1 p -46.0 -47.59 16.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' LYS . 3.2 mt -63.18 -49.17 75.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.673 HG13 ' OH ' ' A' ' 38' ' ' TYR . 76.6 t -37.97 -26.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.147 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' LEU . 37.7 mttt -87.68 -54.59 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.48 ' CD ' HD22 ' A' ' 53' ' ' LEU . 6.0 ptm180 -55.86 -44.0 77.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 56' ' ' ARG . 63.8 mm-40 -67.53 -42.24 83.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -104.41 44.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.72 -27.98 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -60.48 -17.85 47.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.64 164.08 26.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.03 142.79 27.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 63' ' ' ARG . 7.2 tmm_? -38.21 -48.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -59.38 -43.93 92.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.26 -51.02 69.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.0 mm -58.78 -47.7 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -49.62 -47.31 49.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -70.54 -60.18 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' ALA . 9.8 tp -37.83 -50.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 37.7 t -52.87 -42.94 65.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.432 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 8.0 mmt85 -45.28 -23.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.502 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -90.35 -48.78 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.084 HD12 HD11 ' A' ' 49' ' ' ILE . 2.0 mm? -56.55 -60.69 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.4 p30 -45.4 -44.09 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.6 m -52.18 -37.49 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt -85.26 -30.38 23.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.678 ' OD1' HD11 ' A' ' 51' ' ' ILE . 3.2 m120 -51.91 -35.07 44.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.15 -37.18 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.54 -7.67 27.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.36 -36.72 10.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.6 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.89 -61.0 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -37.05 -51.32 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -49.8 -53.84 22.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.59 -59.43 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.524 ' HA ' HD12 ' A' ' 30' ' ' LEU . 87.1 m -46.23 -56.67 5.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -50.17 -39.75 44.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.591 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 91.7 t90 -69.01 -53.94 17.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 27' ' ' CYS . 31.6 mt -44.69 -41.65 6.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.47 -18.9 28.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.25 8.93 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.1 t -114.02 -36.57 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.32 -15.75 0.66 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.548 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.404 ' CE2' HD13 ' A' ' 69' ' ' LEU . 66.2 m-85 -108.91 81.76 1.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -7.51 21.22 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -87.91 -41.54 13.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.811 ' OH ' HG22 ' A' ' 54' ' ' VAL . 8.3 m-85 -60.68 -25.06 66.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -84.39 -19.73 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -88.26 -46.05 9.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.0 mt -46.04 -40.91 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -77.0 -26.61 54.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.16 -28.93 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -89.25 -2.11 58.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 71.9 46.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.42 -30.39 12.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.523 ' CE2' HG12 ' A' ' 49' ' ' ILE . 8.5 m-85 -54.28 160.71 2.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.2 Cg_endo -69.72 162.61 83.66 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.407 -0.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.523 HG12 ' CE2' ' A' ' 47' ' ' PHE . 22.3 pt -114.31 170.01 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.94 100.62 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.499 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 51.0 mm -65.58 -51.31 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.2 p -50.07 -31.91 14.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.72 -50.61 19.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.811 HG22 ' OH ' ' A' ' 38' ' ' TYR . 23.3 t -40.87 -41.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -72.02 -45.94 59.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -36.68 62.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.17 -46.9 39.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -102.54 41.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -17.6 22.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -68.0 -41.54 82.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.8 mt -43.05 165.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -90.46 166.89 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.3 ttt-85 -55.94 -49.14 74.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -63.57 -42.19 98.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.72 -48.24 81.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 66' ' ' ILE . 12.2 mm -59.03 -51.83 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.15 -46.34 82.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.21 76.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.404 HD13 ' CE2' ' A' ' 35' ' ' PHE . 3.6 tp -74.24 -48.39 29.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.4 t -56.87 -34.07 67.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.462 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 31.6 mtp180 -56.74 -17.84 10.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.591 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 2.8 mpt_? -96.14 -47.75 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.499 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.2 mm? -59.24 -55.65 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.0 OUTLIER -49.25 -46.35 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.488 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.6 m -52.28 -36.13 51.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mt -85.52 -32.04 22.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.534 ' O ' HG23 ' A' ' 81' ' ' VAL . 3.1 m120 -51.29 -32.14 23.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -98.07 -39.89 8.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.27 -6.65 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.55 -34.37 10.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.886 0.375 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.576 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -55.3 -40.99 71.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -60.75 -41.52 95.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.05 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.979 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -59.41 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.595 ' SG ' ' CD1' ' A' ' 42' ' ' TYR . 24.9 m -43.09 -59.95 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -43.6 -48.42 7.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' THR . 91.1 t90 -58.22 -61.5 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.0 mt -40.2 -40.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 5.4 tpt180 -87.76 -25.02 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -98.36 11.77 37.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' TRP . 6.1 t -116.34 -31.36 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.73 -10.64 1.44 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.433 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -109.0 80.92 1.4 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.76 19.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -93.22 -39.95 10.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.67 ' OH ' HG22 ' A' ' 54' ' ' VAL . 9.7 m-85 -67.78 -20.14 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -85.6 -18.58 32.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -93.11 -43.61 8.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.734 ' HA ' HD12 ' A' ' 46' ' ' LEU . 90.4 mt -44.55 -48.35 10.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.595 ' CD1' ' SG ' ' A' ' 27' ' ' CYS . 31.4 t80 -65.19 -34.29 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -74.36 -19.05 60.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.21 5.76 50.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.822 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 62.39 46.97 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 41' ' ' LEU . 20.7 mt -103.45 -24.27 13.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.51 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 9.1 m-85 -62.77 158.78 49.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.657 0.742 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.3 Cg_endo -69.79 157.08 92.51 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.35 0.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.432 HD11 HD12 ' A' ' 73' ' ' LEU . 28.6 pt -105.23 174.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.98 94.33 9.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.529 HD11 ' ND2' ' A' ' 77' ' ' ASN . 35.6 mm -62.46 -40.58 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 p -59.31 -26.99 65.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -80.79 -50.04 10.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.67 HG22 ' OH ' ' A' ' 38' ' ' TYR . 56.1 t -41.63 -31.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -83.7 -43.14 15.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -60.68 -42.91 98.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -71.61 -48.24 49.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -98.8 44.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -20.03 65.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -62.74 -32.03 73.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.568 HD22 ' HB1' ' A' ' 65' ' ' ALA . 13.6 mt -54.24 168.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -94.2 158.47 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -48.57 -46.97 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.45 -44.96 89.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -57.59 -49.24 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.7 mm -67.22 -58.62 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -41.02 -43.8 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 69' ' ' LEU . . . -73.52 -61.06 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.602 HD11 HD21 ' A' ' 73' ' ' LEU . 9.6 tp -36.55 -50.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 t -52.88 -48.81 66.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -37.72 -38.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -76.29 -55.19 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.602 HD21 HD11 ' A' ' 69' ' ' LEU . 2.4 mm? -49.37 -64.19 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.449 ' CG ' ' N ' ' A' ' 75' ' ' THR . 0.5 OUTLIER -46.05 -48.96 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 15.7 m -49.53 -31.68 10.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.979 HD21 ' HB3' ' A' ' 26' ' ' ALA . 3.1 mt -88.43 -39.74 14.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.529 ' ND2' HD11 ' A' ' 51' ' ' ILE . 12.1 m-80 -52.63 -49.35 65.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -72.17 -15.53 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -92.86 -19.79 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.13 -27.44 17.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.881 0.372 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.02 83.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -53.62 -42.8 68.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.91 -48.37 73.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -61.33 -55.86 26.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.9 m -52.52 -49.68 64.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -49.42 -35.34 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.595 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 89.4 t90 -78.68 -62.34 1.72 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.683 HD22 ' CB ' ' A' ' 38' ' ' TYR . 12.1 mt -40.53 -34.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -86.53 -30.54 21.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -100.69 15.44 28.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' TRP . 11.5 t -113.15 -39.88 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.411 ' N ' HG23 ' A' ' 33' ' ' THR . . . 148.2 -13.62 1.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -111.98 83.11 4.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.52 37.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.24 . . . . 0.0 112.357 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -74.53 -25.29 59.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.683 ' CB ' HD22 ' A' ' 30' ' ' LEU . 13.2 m-85 -83.67 -15.85 47.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.79 -14.59 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -95.15 -40.54 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.689 HD23 HD12 ' A' ' 46' ' ' LEU . 10.2 mt -45.16 -50.73 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -64.45 -37.15 86.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.56 -30.17 69.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -93.21 8.39 40.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 60.52 46.54 9.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.689 HD12 HD23 ' A' ' 41' ' ' LEU . 24.3 mt -94.65 -31.37 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.6 m-85 -58.76 160.46 10.53 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.78 160.75 87.56 Favored 'Cis proline' 0 C--N 1.342 0.22 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.349 -0.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.561 HG12 ' CE2' ' A' ' 47' ' ' PHE . 10.1 pt -111.54 175.81 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -82.97 98.94 9.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.787 HD11 ' ND2' ' A' ' 77' ' ' ASN . 35.4 mm -63.16 -57.73 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.2 p -46.32 -36.45 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.449 HD13 ' HD2' ' A' ' 56' ' ' ARG . 3.0 mm? -67.22 -48.8 66.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 1.04 HG11 HD11 ' A' ' 73' ' ' LEU . 57.0 t -54.06 -24.88 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -83.85 -43.84 14.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.449 ' HD2' HD13 ' A' ' 53' ' ' LEU . 11.6 ptp180 -71.15 -27.98 63.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.31 -40.35 62.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.507 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . 22.6 m-70 -105.36 38.09 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -21.09 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 58' ' ' HIS . 54.5 p90 -66.91 -42.32 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.48 HD22 ' HB1' ' A' ' 65' ' ' ALA . 19.4 mt -46.04 166.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -91.59 156.82 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -43.54 -54.8 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.21 -48.06 77.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.48 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -56.35 -50.71 70.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.471 HD11 ' HB2' ' A' ' 61' ' ' LEU . 22.6 mm -61.81 -55.06 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -44.08 -52.31 7.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.84 -57.04 8.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 tp -39.74 -38.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 39.1 t -73.22 -43.6 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -38.5 -35.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.595 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 10.1 mpt_? -84.42 -47.15 10.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.04 HD11 HG11 ' A' ' 54' ' ' VAL . 51.8 mt -53.18 -55.72 22.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.493 ' CG ' ' N ' ' A' ' 75' ' ' THR . 1.6 p30 -54.43 -52.04 63.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.493 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 61.9 m -47.78 -31.5 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.7 HD21 ' HB3' ' A' ' 26' ' ' ALA . 89.0 mt -88.1 -31.65 19.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.787 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.7 m-80 -53.4 -33.18 52.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.657 ' HA ' HG12 ' A' ' 81' ' ' VAL . 5.8 pttp -98.22 -37.18 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m -66.74 -6.52 16.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -108.57 -47.47 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.657 HG12 ' HA ' ' A' ' 78' ' ' LYS . 7.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -143.46 158.45 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -81.35 -46.4 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.56 89.75 0.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -123.83 40.27 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.1 p -39.48 -48.0 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.34 -159.18 14.18 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.4 mtt -126.69 162.6 25.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.731 0.3 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.3 m -139.15 162.67 34.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -106.64 164.64 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.47 111.76 16.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -120.58 146.29 42.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.62 0.724 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 86.54 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.386 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -174.79 118.32 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.1 p 36.79 39.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.4 ttm -74.0 -50.65 18.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' GLN . 15.7 mm -76.49 -52.71 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 17' ' ' ILE . 2.2 tt -34.3 -56.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.5 p -50.64 -41.34 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' ILE . 6.5 tt0 -49.76 -44.42 48.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.552 ' H ' HD12 ' A' ' 21' ' ' ILE . 5.2 mp -65.86 -60.09 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -46.67 -46.88 20.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.2 -62.58 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -37.3 -47.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -56.48 -52.97 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.59 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -58.23 -55.25 37.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.486 ' HA ' HD12 ' A' ' 30' ' ' LEU . 76.1 m -53.47 -58.79 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -43.19 -39.81 3.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.625 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 76.3 t90 -70.95 -51.99 22.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 27' ' ' CYS . 77.1 mt -44.22 -40.68 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -90.12 -28.48 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.21 15.13 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.561 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 7.1 t -118.36 -37.11 3.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.32 -12.22 0.91 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -110.1 81.08 2.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.8 14.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.322 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -90.44 -32.65 16.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.619 ' OH ' HG13 ' A' ' 54' ' ' VAL . 11.1 m-85 -73.2 -24.59 60.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -84.97 -19.02 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -87.09 -34.35 19.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 HD12 ' A' ' 46' ' ' LEU . 67.2 mt -54.43 -58.95 5.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.418 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 6.3 t80 -56.13 -38.89 71.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -59.42 -28.14 66.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -95.28 13.89 24.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 56.34 43.14 26.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.448 HD12 HD23 ' A' ' 41' ' ' LEU . 33.3 mt -92.43 -30.3 15.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.551 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.7 m-85 -58.64 160.76 9.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.7 Cg_endo -69.79 157.56 92.03 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.344 -0.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.551 HG12 ' CE2' ' A' ' 47' ' ' PHE . 26.3 pt -107.65 168.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -76.6 91.47 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.519 HD12 ' HB2' ' A' ' 73' ' ' LEU . 46.7 mm -59.01 -51.9 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.5 p -53.82 -25.92 21.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.707 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.7 tm? -75.28 -51.93 12.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.619 HG13 ' OH ' ' A' ' 38' ' ' TYR . 78.6 t -49.77 -24.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' ASP . 36.0 mttt -86.3 -55.65 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.45 ' HD3' ' CD2' ' A' ' 53' ' ' LEU . 8.3 ptm180 -53.55 -41.63 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HG3' HD11 ' A' ' 53' ' ' LEU . 6.9 mm-40 -73.61 -34.44 65.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -105.23 28.92 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -53.22 -24.52 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.49 ' CE2' ' HG ' ' A' ' 61' ' ' LEU . 46.5 p90 -57.74 -42.06 83.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.654 ' HB2' HD11 ' A' ' 66' ' ' ILE . 47.5 mt -52.69 166.0 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -89.69 166.71 13.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -53.42 -48.27 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -61.44 -53.73 52.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.34 70.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.654 HD11 ' HB2' ' A' ' 61' ' ' LEU . 11.9 mm -62.65 -57.99 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.65 -48.65 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.692 ' HB1' ' NH2' ' A' ' 72' ' ' ARG . . . -59.15 -47.01 86.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.47 -43.54 98.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.28 -41.29 90.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 6.0 mtp-105 -47.46 -22.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.692 ' NH2' ' HB1' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -93.53 -49.65 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.54 HD11 HG11 ' A' ' 54' ' ' VAL . 33.4 mt -53.42 -52.59 58.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.526 ' CG ' ' N ' ' A' ' 75' ' ' THR . 2.0 p30 -54.21 -54.01 45.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.526 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 50.5 m -46.07 -28.57 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.59 HD21 ' HB3' ' A' ' 26' ' ' ALA . 90.1 mt -91.06 -36.72 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -49.24 -28.34 4.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HA ' HG12 ' A' ' 81' ' ' VAL . 27.1 pttt -98.2 -35.54 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -72.34 -6.13 41.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.15 -8.72 15.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 78' ' ' LYS . 4.2 p -126.51 -11.97 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.544 ' HE1' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -41.66 -29.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.544 ' HB2' ' HE1' ' A' ' 82' ' ' MET . 8.5 tmtm? -46.54 -51.84 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.65 -54.32 39.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -142.44 137.72 30.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.2 p -45.27 -63.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.85 82.6 1.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 93.58 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.676 2.251 . . . . 0.0 112.394 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.9 m -88.82 82.63 6.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 t 65.11 42.28 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -133.22 154.66 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 t -140.55 129.7 23.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.92 -132.46 2.95 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -140.17 169.38 17.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 110.876 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -110.6 170.27 8.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.74 58.29 0.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.12 100.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.698 0.285 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 94.3 m -114.74 126.74 55.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -91.68 46.89 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -159.66 144.22 15.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -143.14 156.73 61.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.871 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.74 161.16 47.01 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.664 2.243 . . . . 0.0 112.375 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -74.71 -30.99 61.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 p -145.19 108.71 4.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.8 ptp -96.88 -22.1 17.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.01 -38.84 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 18' ' ' LEU . 5.6 tt -61.31 -62.26 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.8 p -47.15 -41.28 17.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -57.91 -47.76 81.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.8 mt -58.59 -59.98 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -49.0 -51.22 31.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.31 -57.96 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.29 -53.19 6.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -47.45 -51.78 19.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.918 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -59.98 -49.61 76.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.3 m -53.53 -56.54 16.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 17.2 t0 -48.37 -30.27 4.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.496 ' CZ3' HG21 ' A' ' 33' ' ' THR . 88.1 t90 -78.13 -60.01 2.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' A' ' 38' ' ' TYR . 29.5 mt -41.27 -37.91 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -87.29 -35.62 18.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 28' ' ' ASP . . . -89.41 14.55 11.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.496 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 11.6 t -116.26 -32.43 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.63 -14.09 2.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -107.52 80.72 0.96 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -3.95 13.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.385 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -92.4 -38.9 11.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.665 ' HA ' HD12 ' A' ' 41' ' ' LEU . 8.2 m-85 -63.86 -26.01 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.44 -14.63 45.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -92.14 -41.57 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 38' ' ' TYR . 13.4 mt -47.83 -44.71 29.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -71.12 -34.16 70.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -63.03 -22.03 66.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -99.3 1.53 44.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 69.25 45.49 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.3 mt -95.94 -28.93 14.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.543 ' CE2' HG12 ' A' ' 49' ' ' ILE . 8.1 m-85 -59.57 160.88 12.35 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.73 158.77 90.55 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.353 -0.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.604 HD11 HD22 ' A' ' 73' ' ' LEU . 38.8 pt -104.78 175.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 54' ' ' VAL . 53.1 m-20 -85.92 96.55 9.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.439 HD12 ' HB2' ' A' ' 73' ' ' LEU . 51.3 mm -63.25 -63.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 p -42.19 -26.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -79.84 -48.71 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.689 HG11 HD11 ' A' ' 73' ' ' LEU . 91.8 t -48.85 -27.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -89.21 -46.94 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttt85 -55.82 -39.53 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -77.99 -42.91 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -96.32 32.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -28.12 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -54.65 -44.81 73.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.5 mt -45.2 161.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.946 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.54 161.22 22.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -52.21 -48.15 65.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -61.61 -46.72 88.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.07 84.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.2 mm -67.0 -64.97 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -42.4 -36.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.28 -55.97 8.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.8 tp -56.49 -45.08 81.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 41.3 t -58.85 -40.87 85.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 89.3 mtt180 -59.17 -19.09 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.481 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 22.8 mmt-85 -92.95 -45.2 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.689 HD11 HG11 ' A' ' 54' ' ' VAL . 31.5 mt -61.31 -56.5 19.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -47.36 -43.58 23.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.47 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.0 m -50.3 -42.75 53.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.918 HD21 ' HB3' ' A' ' 26' ' ' ALA . 47.8 mt -80.21 -34.54 37.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -49.8 -32.68 14.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -98.21 -30.56 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.423 ' C ' ' HG3' ' A' ' 82' ' ' MET . 1.6 m -79.75 -6.7 57.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -98.15 -40.52 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.8 p -86.47 -15.65 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.423 ' HG3' ' C ' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -50.96 -17.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -56.41 -54.75 41.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 86' ' ' SER . 5.3 mp -76.49 -74.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -49.76 92.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' LEU . 3.2 t -87.58 134.57 33.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -126.93 83.39 0.34 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -42.56 3.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 m -48.57 141.96 6.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 m -45.95 162.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 p -169.38 106.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.1 p -151.0 127.12 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.64 179.15 48.36 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -125.07 158.42 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -135.61 151.43 50.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.25 149.48 18.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 82.8 mtp -52.81 141.76 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 95.6 m -123.85 135.61 53.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -55.99 111.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -160.83 132.13 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.88 80.96 5.57 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 167.36 24.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.643 2.229 . . . . 0.0 112.368 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.22 -60.12 2.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.9 p -94.47 133.23 38.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.1 ttp -134.96 -53.58 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.488 ' O ' HD12 ' A' ' 21' ' ' ILE . 2.7 mm -74.78 -48.66 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.488 ' HA ' HD13 ' A' ' 21' ' ' ILE . 9.7 tt -37.13 -47.75 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' GLN . 43.4 p -54.21 -58.58 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' THR . 0.5 OUTLIER -35.15 -47.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.74 ' H ' HD12 ' A' ' 21' ' ' ILE . 4.7 mp -60.15 -62.29 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -42.74 -60.99 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' ' CD2' ' A' ' 76' ' ' LEU . . . -56.42 -52.74 63.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -46.52 -53.5 11.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -47.69 -60.04 2.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 1.119 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -53.37 -59.28 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.519 ' HA ' HD12 ' A' ' 30' ' ' LEU . 31.3 m -47.43 -61.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -42.15 -34.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.597 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 91.7 t90 -76.3 -60.86 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 38' ' ' TYR . 15.0 mt -39.39 -35.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -87.57 -38.16 16.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.32 7.14 23.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.458 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 7.4 t -109.91 -34.99 6.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.9 -10.87 1.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -109.81 78.71 1.28 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.903 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -4.67 14.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 38' ' ' TYR . 10.5 pm0 -91.62 -35.68 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.695 ' OH ' HG13 ' A' ' 54' ' ' VAL . 4.6 m-85 -64.36 -27.05 68.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -89.57 -15.07 33.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -88.33 -37.61 15.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.618 ' HA ' HD12 ' A' ' 46' ' ' LEU . 13.8 mt -56.69 -49.85 73.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 76' ' ' LEU . 19.8 t80 -64.1 -32.63 74.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.83 -34.12 77.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -87.82 11.87 14.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 62.82 44.16 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 41' ' ' LEU . 79.0 mt -94.45 -30.55 14.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.51 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.3 m-85 -62.93 160.88 34.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.643 0.735 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.74 159.57 89.42 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.749 -1.771 . . . . 0.0 112.325 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.51 HG12 ' CE2' ' A' ' 47' ' ' PHE . 13.0 pt -109.65 173.71 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 54' ' ' VAL . 34.5 m-20 -82.54 99.56 9.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.634 HD11 ' ND2' ' A' ' 77' ' ' ASN . 50.3 mm -66.73 -62.49 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' ILE . 77.5 p -38.0 -37.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.85 -49.17 26.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.868 HG11 HD11 ' A' ' 73' ' ' LEU . 26.1 t -44.64 -35.23 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -81.93 -49.22 10.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -52.5 -42.41 64.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -69.67 -46.69 65.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -99.07 40.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -25.2 65.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 32.5 p90 -55.0 -43.78 73.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 37.6 mt -43.13 163.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -85.94 176.5 8.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.17 -41.85 98.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.92 -45.68 77.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.411 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -60.67 -42.47 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 mm -70.3 -54.11 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.24 -41.16 60.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.39 -59.95 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.4 tp -44.57 -46.69 10.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 44.6 t -61.35 -44.34 97.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 27.8 mtp180 -57.97 -15.93 10.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.597 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 17.2 mmt180 -93.53 -47.28 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.868 HD11 HG11 ' A' ' 54' ' ' VAL . 68.5 mt -61.58 -62.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -40.6 -42.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.459 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 97.0 m -51.78 -50.16 61.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.119 HD21 ' HB3' ' A' ' 26' ' ' ALA . 35.4 mt -69.71 -36.06 75.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.634 ' ND2' HD11 ' A' ' 51' ' ' ILE . 9.4 m-80 -51.52 -60.22 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.427 ' HA ' HG12 ' A' ' 81' ' ' VAL . 59.0 pttt -65.09 -23.74 67.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.71 -22.9 45.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.16 -29.06 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 83' ' ' LYS . 11.5 p -96.92 -24.44 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -34.17 -33.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 81' ' ' VAL . 5.4 tmtt? -42.63 -54.4 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 84' ' ' LEU . 3.8 mm? -57.78 -56.5 21.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -170.18 107.18 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.1 p -68.86 -48.66 62.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.72 -171.97 29.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 157.6 59.87 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -63.16 112.16 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.7 p -60.6 -36.01 77.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 m -153.6 130.9 11.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 110.834 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -85.13 114.7 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.0 161.16 11.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -108.17 152.07 25.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -53.05 163.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.27 92.85 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ttp -91.38 133.42 35.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.759 0.314 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.7 t -134.86 108.89 8.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -116.66 63.29 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -116.53 138.95 51.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -117.72 78.62 12.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.55 0.691 . . . . 0.0 110.914 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 167.82 23.43 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.312 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' THR . 27.6 m-20 -97.86 159.01 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 14' ' ' ASP . 70.9 p 34.03 40.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.771 ' HG3' HD12 ' A' ' 17' ' ' ILE . 11.5 ptp -50.48 -34.5 25.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.771 HD12 ' HG3' ' A' ' 16' ' ' MET . 2.8 mp -64.17 -42.36 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.458 HD23 ' C ' ' A' ' 18' ' ' LEU . 7.4 tt -70.66 -53.06 17.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 20' ' ' GLN . 57.8 m -53.54 -57.77 9.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 19.0 tt0 -35.25 -44.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.75 -66.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -49.54 -64.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.32 -49.29 34.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 13.3 tppt? -47.54 -49.54 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -55.44 -45.99 76.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.904 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -60.76 -54.55 43.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.466 ' HA ' HD12 ' A' ' 30' ' ' LEU . 89.7 m -52.79 -58.58 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -44.63 -41.42 6.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 87.6 t90 -70.23 -62.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 38' ' ' TYR . 9.1 mt -41.51 -36.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -88.16 -28.18 21.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -95.03 7.41 46.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' TRP . 9.1 t -108.87 -37.6 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.87 -11.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.461 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' LEU . 41.5 m-85 -112.8 80.46 3.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.661 0.744 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.73 16.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -88.6 -35.34 16.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.663 ' OH ' HG22 ' A' ' 54' ' ' VAL . 6.9 m-85 -65.54 -27.73 68.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.85 -21.99 27.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -81.02 -34.84 32.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.576 HD23 HD12 ' A' ' 46' ' ' LEU . 34.9 mt -54.5 -48.93 71.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -65.78 -35.53 80.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -60.16 -30.21 69.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -94.83 4.28 54.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 64.92 46.27 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.576 HD12 HD23 ' A' ' 41' ' ' LEU . 32.4 mt -93.02 -27.38 17.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.512 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 15.0 m-85 -60.8 159.58 25.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.2 Cg_endo -69.73 160.57 87.71 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 -1.806 . . . . 0.0 112.355 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.404 HG12 ' CE2' ' A' ' 47' ' ' PHE . 21.9 pt -113.71 170.97 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.767 ' CG ' HD23 ' A' ' 53' ' ' LEU . 4.8 t0 -83.33 95.0 8.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 29.7 mm -55.95 -40.33 62.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.9 p -55.1 -34.53 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.767 HD23 ' CG ' ' A' ' 50' ' ' ASP . 4.3 mm? -68.17 -43.39 78.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.663 HG22 ' OH ' ' A' ' 38' ' ' TYR . 72.4 t -48.57 -41.15 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 59' ' ' ASP . 4.2 mtpm? -78.98 -41.29 29.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -60.14 -30.95 69.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.54 -42.56 12.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.425 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -104.19 34.03 3.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.799 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -51.32 -32.87 26.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 48.7 p90 -51.23 -45.14 61.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.5 mt -41.66 163.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.01 163.73 14.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -51.9 -44.99 64.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -65.26 -43.82 90.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.08 99.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 mm -68.08 -35.75 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.1 -41.39 90.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.36 72.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.455 ' O ' ' CD2' ' A' ' 73' ' ' LEU . 42.6 tp -64.67 -52.74 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.1 t -56.02 -33.11 64.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.452 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 54.0 mtp85 -60.11 -18.37 46.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.584 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 8.8 mpt_? -95.89 -39.35 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.1 mm? -67.32 -52.46 40.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.452 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 0.9 OUTLIER -52.42 -42.86 64.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.416 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 45.3 m -55.73 -31.44 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.904 HD21 ' HB3' ' A' ' 26' ' ' ALA . 66.4 mt -85.54 -32.19 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -57.87 -30.28 65.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -98.18 -23.23 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.423 ' SG ' HG23 ' A' ' 19' ' ' THR . 1.6 m -86.49 -9.28 56.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.89 -36.31 9.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.5 p -89.01 -13.16 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -52.18 -16.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' N ' ' SD ' ' A' ' 82' ' ' MET . 28.2 tttt -56.42 -46.62 80.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 84' ' ' LEU . 4.0 mm? -64.74 -61.46 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -166.53 108.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.0 p -85.68 135.87 33.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.88 83.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 100.32 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 t -56.49 -56.25 23.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.1 t -45.22 116.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 p -149.12 132.64 16.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.9 m -138.24 159.56 41.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.36 160.48 28.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -53.03 117.27 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m -76.82 -59.19 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.59 133.38 2.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.489 ' CG ' ' CE2' ' A' ' 45' ' ' PHE . 4.1 mpp? -90.22 172.99 8.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.758 0.313 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.5 p -169.06 -179.91 3.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -101.05 116.17 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.33 137.74 30.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -121.98 83.06 43.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 176.22 7.08 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.235 . . . . 0.0 112.32 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -79.91 117.79 21.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.534 HG22 ' HB2' ' A' ' 18' ' ' LEU . 0.4 OUTLIER 65.83 53.75 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 16' ' ' MET . 1.3 tmt? -58.62 -38.6 78.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.613 ' H ' HD12 ' A' ' 17' ' ' ILE . 4.9 mp -57.16 -35.29 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.75 HD23 ' C ' ' A' ' 18' ' ' LEU . 3.7 tt -53.2 -50.34 64.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.5 p -65.7 -40.7 92.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -52.77 -38.86 61.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 18' ' ' LEU . 18.1 mt -64.95 -54.32 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -53.91 53.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.9 75.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -51.64 -49.13 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -55.7 -47.87 76.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.615 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -62.88 -60.52 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.476 ' HA ' HD12 ' A' ' 30' ' ' LEU . 73.8 m -52.94 -58.67 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -45.3 -40.86 8.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.572 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 91.9 t90 -70.7 -57.86 4.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 38' ' ' TYR . 11.5 mt -45.46 -39.39 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.46 ' O ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.92 -17.25 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -109.49 14.5 23.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.7 t -117.15 -40.25 3.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.166 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.425 ' N ' HG23 ' A' ' 33' ' ' THR . . . 154.97 -16.98 0.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -112.58 83.32 5.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.647 0.736 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.23 33.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 2.231 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -70.19 -30.63 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.62 ' HB3' HD22 ' A' ' 30' ' ' LEU . 9.8 m-85 -75.14 -18.85 60.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.79 -21.2 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -87.96 -40.42 13.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.747 HD23 HD12 ' A' ' 46' ' ' LEU . 18.1 mt -43.14 -46.53 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -69.22 -37.33 78.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -60.85 -28.79 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -92.53 1.63 57.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CE2' ' CG ' ' A' ' 8' ' ' MET . 65.1 m-85 65.02 48.99 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.747 HD12 HD23 ' A' ' 41' ' ' LEU . 75.3 mt -99.03 -30.23 12.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.525 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.1 m-85 -57.0 160.62 5.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.75 159.8 89.03 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.349 -0.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.525 HG12 ' CE2' ' A' ' 47' ' ' PHE . 18.6 pt -105.2 174.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.585 ' O ' HG23 ' A' ' 54' ' ' VAL . 9.6 m-20 -81.56 89.72 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.558 HD11 ' ND2' ' A' ' 77' ' ' ASN . 43.6 mm -59.17 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -41.21 -36.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.633 ' O ' HD13 ' A' ' 53' ' ' LEU . 1.3 tm? -71.98 -44.6 63.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.69 HG11 HD11 ' A' ' 73' ' ' LEU . 69.8 t -46.58 -29.48 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -79.87 -41.45 26.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -61.58 -42.21 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.04 -45.04 75.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.413 ' HB3' HD12 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -105.09 50.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -31.64 71.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 14.5 p90 -55.7 -39.76 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.598 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 19.8 mt -46.74 164.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -92.06 164.96 13.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -52.05 -48.5 64.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -58.22 -52.18 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.9 -45.96 82.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.406 ' HA ' HD13 ' A' ' 66' ' ' ILE . 15.4 mm -60.85 -55.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.83 -43.24 72.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -51.23 65.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 tp -57.02 -45.24 83.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 34.9 t -62.06 -47.23 85.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -43.65 -26.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.572 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 1.2 mpt_? -88.9 -46.95 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.69 HD11 HG11 ' A' ' 54' ' ' VAL . 30.0 mt -56.48 -58.13 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -46.45 -45.4 18.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 50.9 m -53.02 -41.87 65.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 26' ' ' ALA . 93.1 mt -79.54 -27.71 41.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.558 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.0 m-80 -59.08 -31.97 69.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -98.01 -31.45 12.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.74 -6.49 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.83 -45.73 4.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.06 -6.5 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.462 ' C ' ' SD ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -63.32 -6.95 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.513 ' HD2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -80.61 -47.14 14.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.513 HD23 ' HD2' ' A' ' 83' ' ' LYS . 4.0 mt -44.08 -36.32 2.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -163.97 128.06 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.7 m -43.04 -66.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.9 149.63 22.0 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -19.57 35.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.5 p -40.82 -57.2 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -44.21 154.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t 58.6 42.23 20.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p -134.85 138.25 44.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.32 126.22 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -89.19 127.49 35.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -108.47 160.36 15.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.79 -144.12 3.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.9 ptp -99.85 149.97 22.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.763 0.316 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.9 m -66.37 -58.84 4.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -73.18 124.77 26.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' C ' ' HG2' ' A' ' 12' ' ' LYS . 3.0 mmmp? -113.92 23.29 13.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 18.8 pttm 41.61 54.51 8.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.534 0.683 . . . . 0.0 110.867 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.76 -11.35 30.65 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -37.49 -45.11 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -91.88 -40.3 11.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -38.76 -50.81 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' GLN . 29.2 mm -60.19 -42.03 88.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' ILE . 5.5 tt -35.63 -64.74 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.893 HG21 ' HG3' ' A' ' 82' ' ' MET . 17.8 p -57.09 -30.08 64.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -64.75 -44.32 90.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.9 mt -64.13 -62.25 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -40.14 -42.34 1.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.71 ' HB2' ' HB3' ' A' ' 79' ' ' CYS . . . -53.49 -68.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ALA . 1.1 tmtp? -38.32 -57.71 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -43.3 -52.47 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.574 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -58.82 -53.51 57.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.6 m -47.08 -51.27 18.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -47.57 -37.83 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.612 ' CZ3' HG21 ' A' ' 33' ' ' THR . 84.3 t90 -65.18 -53.6 42.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.887 HD13 ' HB3' ' A' ' 38' ' ' TYR . 76.8 mt -46.1 -38.99 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -86.73 -26.6 24.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.64 5.87 50.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.612 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 13.0 t -111.0 -36.63 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.39 -10.82 1.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' LEU . 44.3 m-85 -118.13 81.11 16.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 110.862 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -26.85 27.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -64.74 -32.66 74.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.915 ' OH ' HG22 ' A' ' 54' ' ' VAL . 2.7 m-85 -66.09 -30.17 70.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -84.67 -26.96 27.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -73.76 -33.17 64.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 38' ' ' TYR . 19.6 mt -58.7 -50.5 73.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -63.74 -32.22 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -95.84 11.31 34.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 60.4 48.37 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 41' ' ' LEU . 60.6 mt -97.18 -29.72 13.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.536 ' CE2' HG12 ' A' ' 49' ' ' ILE . 11.9 m-85 -60.48 160.07 20.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.696 0.76 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.9 Cg_endo -69.77 163.49 81.73 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.348 -0.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.536 HG12 ' CE2' ' A' ' 47' ' ' PHE . 8.9 pt -112.84 177.16 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.48 90.12 8.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.807 HD11 ' ND2' ' A' ' 77' ' ' ASN . 28.6 mm -52.3 -50.86 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.3 p -48.7 -43.02 36.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -49.04 78.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.915 HG22 ' OH ' ' A' ' 38' ' ' TYR . 47.0 t -41.91 -43.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -72.86 -38.06 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -61.72 -39.1 90.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -79.04 -44.53 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -101.12 44.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -26.06 66.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.826 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -59.11 -40.6 85.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.0 mt -51.56 163.45 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.33 162.61 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -51.77 -49.61 62.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -46.31 89.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.54 88.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.21 -61.05 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -38.2 -49.8 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.24 -47.96 83.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.467 ' CD1' HD21 ' A' ' 73' ' ' LEU . 35.5 tp -58.74 -51.07 71.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 35.4 t -54.67 -48.8 71.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -41.36 -29.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.552 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.1 OUTLIER -87.15 -50.1 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.1 mm? -53.08 -59.62 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -47.72 -45.39 28.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.6 m -51.21 -32.36 23.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 26' ' ' ALA . 82.3 mt -90.32 -28.08 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.807 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.7 m-80 -52.58 -34.89 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -98.21 -46.23 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.71 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 1.6 m -53.23 -16.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.76 -53.32 4.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.461 HG23 ' H ' ' A' ' 81' ' ' VAL . 2.1 t -51.97 -47.34 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.893 ' HG3' HG21 ' A' ' 19' ' ' THR . 17.5 mmt -35.44 -43.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 82' ' ' MET . 1.1 tmtp? -35.1 -46.49 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.444 ' N ' HD22 ' A' ' 84' ' ' LEU . 3.2 mm? -58.31 -69.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.37 127.34 48.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.1 m -80.16 43.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.5 159.73 14.64 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.542 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 153.72 68.66 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.254 . . . . 0.0 112.377 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.3 p -117.82 142.37 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.5 p -61.03 137.01 58.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.539 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -110.33 174.85 5.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -80.79 -53.81 6.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.06 -85.97 0.39 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t -100.71 125.44 47.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -98.06 -51.37 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.5 -117.41 0.8 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.545 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.0 mtt 56.46 44.16 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.722 0.296 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.5 t -90.08 122.75 33.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -174.2 145.12 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -86.6 115.27 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -134.43 144.36 50.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 121.95 8.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.468 ' OD1' ' O ' ' A' ' 87' ' ' GLY . 1.7 t70 -152.06 175.12 12.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.6 p -39.4 106.09 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.3 mtm -104.43 -38.51 6.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 17' ' ' ILE . 5.1 mp -74.96 -58.77 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 18' ' ' LEU . 9.6 tt -38.82 -61.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.645 HG21 ' SD ' ' A' ' 82' ' ' MET . 49.6 m -43.57 -53.47 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' THR . 34.9 tt0 -36.3 -54.25 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.628 ' H ' HD12 ' A' ' 21' ' ' ILE . 4.8 mp -54.05 -63.97 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -35.8 -46.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.452 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -71.46 -56.21 6.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -44.01 -57.42 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -40.6 -48.34 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.39 -38.26 74.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 67.8 m -60.25 -44.67 95.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -57.35 -32.36 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 33' ' ' THR . 91.7 t90 -75.81 -61.74 1.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 38' ' ' TYR . 91.5 mt -35.78 -39.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -88.06 -33.09 18.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -90.13 11.19 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.55 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 13.8 t -114.31 -37.97 4.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.92 -18.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.427 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.625 ' CE2' HD13 ' A' ' 69' ' ' LEU . 9.1 m-85 -107.63 78.79 0.74 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.718 . . . . 0.0 110.886 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -12.53 33.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.3 pm0 -82.08 -29.52 31.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.743 ' OH ' HG22 ' A' ' 54' ' ' VAL . 5.4 m-85 -73.14 -25.84 60.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -82.72 -18.17 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -87.73 -34.9 18.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 38' ' ' TYR . 18.2 mt -56.96 -44.22 82.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 80' ' ' ALA . 42.4 t80 -72.14 -29.71 64.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -66.46 -31.13 71.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.38 0.08 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 70.9 40.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.85 -32.11 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.492 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 7.8 m-85 -53.91 160.89 1.96 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.618 0.723 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.75 168.63 66.76 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.324 0.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.449 HG12 ' CE2' ' A' ' 47' ' ' PHE . 20.5 pt -119.21 168.69 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -77.59 85.72 3.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.565 HD11 ' OD1' ' A' ' 77' ' ' ASN . 37.7 mm -46.7 -56.22 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -47.71 -39.29 17.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' HA ' HD22 ' A' ' 53' ' ' LEU . 1.1 tm? -62.65 -47.0 85.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.864 HG21 HD13 ' A' ' 73' ' ' LEU . 51.0 t -48.24 -28.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.54 -47.33 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -57.7 -42.48 83.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -64.68 -51.41 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.475 ' O ' HD11 ' A' ' 66' ' ' ILE . 3.6 m-70 -101.6 52.61 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.38 -21.31 62.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 37.2 p90 -64.07 -36.76 85.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 14.5 mt -49.69 166.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -90.16 155.03 19.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 23.3 ttm180 -42.03 -61.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -54.8 -38.8 67.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.0 95.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.475 HD11 ' O ' ' A' ' 58' ' ' HIS . 20.5 mm -61.57 -53.81 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 63' ' ' ARG . 3.8 mp0 -50.66 -54.47 22.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.36 -43.24 67.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.625 HD13 ' CE2' ' A' ' 35' ' ' PHE . 44.8 tp -61.38 -36.7 81.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' ARG . 46.2 t -72.47 -36.32 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.426 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 27.2 mmm180 -42.95 -24.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -95.78 -55.19 3.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.864 HD13 HG21 ' A' ' 54' ' ' VAL . 29.6 mt -50.17 -53.59 26.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.432 ' CG ' ' N ' ' A' ' 75' ' ' THR . 5.6 p30 -46.03 -49.19 16.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.432 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 76.5 m -58.06 -60.91 3.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ALA . 35.9 mt -49.48 -46.75 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.565 ' OD1' HD11 ' A' ' 51' ' ' ILE . 3.5 m120 -46.9 -51.82 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -83.29 -11.24 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.467 ' SG ' HG23 ' A' ' 19' ' ' THR . 1.5 t -92.44 -16.88 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . . . -93.06 -35.1 13.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.066 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 83' ' ' LYS . 14.5 p -84.64 -25.81 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.645 ' SD ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -39.89 -25.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -46.72 -47.41 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' GLU . 4.5 mm? -81.42 -62.37 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' LEU . 31.1 mt-10 -36.47 -72.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.2 m -56.01 159.06 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.468 ' O ' ' OD1' ' A' ' 14' ' ' ASP . . . 178.39 -89.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -39.13 6.92 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.319 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 m -86.79 103.51 15.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.8 t -89.17 108.49 19.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -115.92 160.09 20.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -128.97 129.17 45.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.57 53.17 0.69 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.543 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -166.83 107.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -140.17 123.07 16.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.4 66.36 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -108.56 147.89 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.5 p -56.33 154.8 7.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.72 33.14 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.25 133.44 56.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -106.45 86.93 2.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.536 0.684 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 154.73 67.44 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.37 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.42 -60.82 2.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 p -84.35 102.45 12.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.2 ttm -120.42 -46.13 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.98 -29.01 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.525 HD23 ' OE1' ' A' ' 22' ' ' GLU . 3.1 tt -55.31 -52.21 64.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.939 HG21 ' CB ' ' A' ' 82' ' ' MET . 17.8 p -62.28 -27.75 69.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -73.96 -47.12 39.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.51 -61.69 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.525 ' OE1' HD23 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -47.46 -40.84 19.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.502 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -58.73 -55.41 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -47.09 -48.34 22.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -54.39 -50.18 68.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.36 -27.26 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.2 m -70.08 -52.09 26.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -48.85 -33.16 10.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.575 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 79.7 t90 -73.25 -53.38 11.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 38' ' ' TYR . 72.2 mt -40.98 -38.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -91.52 -36.31 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.85 -2.42 36.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.6 t -100.5 -35.3 9.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.72 -10.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.64 81.58 1.47 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -4.5 14.13 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -91.25 -35.68 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.841 ' OH ' HG13 ' A' ' 54' ' ' VAL . 12.9 m-85 -70.53 -24.15 62.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.13 -14.48 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -91.84 -36.08 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -54.74 -45.7 74.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.502 ' CZ ' ' HB1' ' A' ' 23' ' ' ALA . 29.1 t80 -68.45 -31.18 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.61 -22.54 66.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -99.98 5.4 45.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 62.32 50.5 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.2 mt -98.6 -29.47 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.549 ' CE2' HG12 ' A' ' 49' ' ' ILE . 11.3 m-85 -57.85 160.11 8.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.835 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.4 Cg_endo -69.75 156.87 92.55 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.31 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.549 HG12 ' CE2' ' A' ' 47' ' ' PHE . 23.3 pt -108.77 171.56 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.25 96.27 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.731 HD11 ' ND2' ' A' ' 77' ' ' ASN . 34.6 mm -59.16 -44.74 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.0 p -59.4 -32.17 69.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.829 HD13 ' HD3' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -73.95 -38.72 64.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.841 HG13 ' OH ' ' A' ' 38' ' ' TYR . 45.2 t -58.2 -35.72 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -79.39 -48.98 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.829 ' HD3' HD13 ' A' ' 53' ' ' LEU . 7.6 ptm180 -60.44 -36.09 77.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.6 -37.97 55.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -106.4 33.57 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -32.45 58.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -53.04 -37.15 61.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.8 mt -49.43 165.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -85.22 163.87 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -55.63 -48.75 74.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -43.44 98.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.43 -53.79 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.8 mm -60.05 -55.41 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -47.5 -56.94 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.46 77.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -45.99 -44.66 15.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.3 t -63.32 -46.21 87.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -43.98 -23.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.575 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 6.0 mmt180 -93.33 -41.63 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.772 HD11 HG11 ' A' ' 54' ' ' VAL . 56.3 mt -59.95 -54.74 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -50.47 -41.16 52.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.8 m -56.35 -36.41 68.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 23' ' ' ALA . 77.8 mt -85.95 -29.04 23.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.731 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.8 m-80 -53.13 -34.36 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 79' ' ' CYS . 4.4 pttm -98.25 -43.68 6.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m -62.15 -8.1 5.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -97.83 -26.83 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 77' ' ' ASN . 1.9 t -84.01 -44.73 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.939 ' CB ' HG21 ' A' ' 19' ' ' THR . 16.0 mmt -43.41 -43.38 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' MET . 0.8 OUTLIER -34.39 -38.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.1 mp -75.74 -66.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -155.72 120.66 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.4 t -52.17 129.9 28.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.42 -92.58 1.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 179.62 3.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.8 p -167.24 150.5 6.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.2 t -62.05 137.29 58.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.471 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -145.31 170.46 16.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -136.33 155.09 50.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.88 -153.6 8.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -147.91 143.84 27.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.895 0.379 . . . . 0.0 110.841 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -84.92 92.47 8.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.66 56.28 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.5 tpt -108.32 113.67 26.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.5 m -55.05 150.52 10.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.07 152.48 34.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -143.93 149.94 37.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -105.94 88.8 3.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 110.875 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 177.69 5.31 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.258 . . . . 0.0 112.343 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -89.43 -48.71 7.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 64.6 p -103.7 97.64 7.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.7 ttt -115.84 -61.03 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.4 mm -48.04 -38.04 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.17 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tt -73.58 -62.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 p -53.05 -16.61 1.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -83.59 -42.73 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 mt -69.3 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -46.25 -47.29 18.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.66 -41.89 74.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -47.51 54.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -57.86 -45.56 86.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.14 -57.84 9.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.681 ' HA ' HD12 ' A' ' 30' ' ' LEU . 35.5 m -51.61 -51.11 58.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -55.84 -40.97 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' THR . 77.6 t90 -69.86 -40.04 76.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.796 HD22 ' CB ' ' A' ' 38' ' ' TYR . 32.6 mt -54.62 -40.11 68.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -89.57 -16.14 31.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.33 -10.87 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.9 t -91.92 -33.19 14.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.84 -5.58 1.76 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.492 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 49.5 m-85 -113.12 83.54 6.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.674 0.749 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -10.51 28.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -83.93 -34.21 24.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.796 ' CB ' HD22 ' A' ' 30' ' ' LEU . 20.4 m-85 -73.64 -23.4 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -85.14 -14.24 47.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -94.66 -40.72 9.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 mt -46.46 -49.02 18.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.578 ' CD2' HD22 ' A' ' 76' ' ' LEU . 58.3 t80 -67.19 -38.31 85.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -57.9 -34.44 69.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -85.26 -10.19 56.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 73.87 47.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.7 mt -99.28 -17.4 18.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.5 m-85 -61.85 160.34 29.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.9 Cg_endo -69.76 158.69 90.74 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.313 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.535 HG12 ' CE2' ' A' ' 47' ' ' PHE . 9.8 pt -107.07 175.36 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.422 ' HB3' HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -83.79 94.59 8.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.642 HD11 ' ND2' ' A' ' 77' ' ' ASN . 42.6 mm -59.35 -38.97 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.6 p -59.58 -40.46 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.422 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -68.16 -30.48 69.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -67.84 -35.45 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HD2' HG22 ' A' ' 51' ' ' ILE . 6.8 mtpp -84.6 -35.73 22.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.411 ' NH1' ' CD1' ' A' ' 53' ' ' LEU . 23.6 ttt-85 -72.26 -21.73 61.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.04 -44.02 12.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 3.7 m-70 -100.75 30.28 4.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.4 -39.61 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -48.11 -41.21 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.2 mt -46.4 160.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -90.68 155.19 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -44.05 -50.0 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -59.58 -48.83 80.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.28 80.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.3 mm -65.82 -59.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.188 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -40.86 -47.05 2.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.65 -40.1 76.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.76 -52.56 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 36.8 t -65.3 -35.12 80.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.435 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 6.0 mmp_? -48.4 -20.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.416 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 10.4 mpt_? -94.91 -42.44 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.4 mm? -64.43 -58.83 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.7 p30 -45.02 -42.72 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.8 m -59.73 -40.57 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.578 HD22 ' CD2' ' A' ' 42' ' ' TYR . 73.8 mt -74.28 -36.4 63.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.642 ' ND2' HD11 ' A' ' 51' ' ' ILE . 4.1 m-80 -52.43 -52.69 52.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.408 ' HA ' HG12 ' A' ' 81' ' ' VAL . 45.4 pttt -73.02 -9.59 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.78 -25.58 18.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.28 -29.08 16.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 77' ' ' ASN . 13.5 p -90.28 -28.44 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -35.32 -31.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.5 OUTLIER -50.64 -50.68 53.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.431 HD23 ' N ' ' A' ' 84' ' ' LEU . 3.7 mt -54.43 -63.59 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.43 158.47 26.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -68.4 -51.11 47.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.76 146.24 4.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 117.06 4.85 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 t -38.94 -54.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -92.57 106.52 18.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 m -148.05 161.25 41.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.381 . . . . 0.0 110.863 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -117.3 149.16 40.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.64 145.67 15.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -136.31 169.53 17.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -166.76 106.38 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.19 71.43 0.21 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.456 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.6 mmt -98.96 131.08 45.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.747 0.308 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.6 p -66.26 147.34 53.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -66.49 173.95 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' LYS . 6.1 ptpt -154.08 109.21 3.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 45.6 mttm 35.74 54.77 2.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 54.0 Cg_endo -69.7 117.84 5.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.407 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.8 -50.37 36.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.564 HG22 HD13 ' A' ' 18' ' ' LEU . 38.5 p -96.93 40.74 1.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.0 ttp -53.88 -50.26 66.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.829 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.5 mt -94.8 -45.79 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.564 HD13 HG22 ' A' ' 15' ' ' THR . 7.4 tt -36.68 -49.54 0.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -58.14 -55.75 30.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -43.21 -43.87 4.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 18' ' ' LEU . 58.4 mt -57.73 -57.66 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -56.25 -57.08 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.93 -42.41 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -54.92 -50.72 68.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.12 -45.92 72.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.594 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -63.98 -58.28 7.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m -52.95 -56.81 13.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -47.23 -35.98 8.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 89.1 t90 -67.46 -62.45 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.562 HD11 HD11 ' A' ' 76' ' ' LEU . 21.7 mt -38.83 -35.36 0.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 ttt-85 -86.59 -37.92 17.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -88.6 11.17 18.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' TRP . 6.4 t -113.62 -38.29 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.47 -19.65 1.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' LEU . 26.6 m-85 -107.53 79.0 0.74 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.88 37.76 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 38' ' ' TYR . 14.4 pm0 -76.63 -32.53 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.734 ' OH ' HG13 ' A' ' 54' ' ' VAL . 3.1 m-85 -66.72 -31.36 71.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -80.32 -22.35 41.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -79.79 -39.79 30.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.4 mt -50.3 -45.52 54.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.447 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 4.1 t80 -68.19 -37.22 80.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -59.27 -27.81 66.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -93.46 7.35 44.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 63.32 43.91 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.5 mt -94.06 -30.36 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 9.3 m-85 -59.24 160.56 11.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.73 163.45 81.72 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.33 -0.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.9 pt -110.65 173.52 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.96 88.41 6.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 36.9 mm -52.46 -63.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.7 p -42.38 -36.97 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.818 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.16 -53.37 25.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.805 HG11 HD11 ' A' ' 73' ' ' LEU . 55.9 t -38.5 -44.44 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -64.77 -45.23 87.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -62.82 -42.5 99.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -65.01 -49.35 70.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 5.7 m-70 -98.32 43.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -56.37 -35.13 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 25.7 p90 -50.67 -36.64 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.441 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 17.8 mt -50.75 164.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -95.59 163.05 13.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -47.6 -50.09 25.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -58.57 -46.03 87.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.417 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -61.39 -43.63 98.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.2 mm -64.71 -58.82 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.47 -52.19 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.86 -53.94 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.8 tp -44.57 -48.69 10.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ARG . 43.7 t -56.48 -48.38 77.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 70' ' ' CYS . 18.7 mmt180 -36.75 -42.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.555 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -77.94 -42.95 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.805 HD11 HG11 ' A' ' 54' ' ' VAL . 60.2 mt -58.48 -57.22 13.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.2 p30 -51.06 -47.1 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.416 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 87.0 m -48.88 -43.62 39.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 26' ' ' ALA . 35.1 mt -75.32 -34.54 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -53.72 -33.95 57.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -98.15 -31.07 12.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.436 ' C ' ' HG3' ' A' ' 82' ' ' MET . 1.6 m -75.03 -12.6 60.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -94.95 -42.35 8.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.0 p -84.24 -19.78 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.436 ' HG3' ' C ' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -43.67 -23.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 83' ' ' LYS . 5.2 tmtm? -50.11 -39.19 42.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 mp -77.93 -52.09 9.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -137.46 117.93 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 t -92.51 165.88 12.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.92 83.98 0.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 90.53 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 t -73.66 85.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.0 m 57.79 54.2 6.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -121.95 -49.86 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -76.96 92.24 3.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.5 65.63 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.433 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 m -100.02 136.1 40.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -151.93 169.2 22.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.19 87.63 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.52 87.74 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.1 m -137.79 118.97 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -121.07 126.77 50.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -137.67 135.47 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -123.62 78.76 55.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.699 . . . . 0.0 110.894 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -164.37 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.401 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.502 ' OD1' ' HA3' ' A' ' 87' ' ' GLY . 12.9 p-10 -66.41 -51.29 58.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.0 p -120.23 100.56 7.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.6 tpt -123.64 -61.53 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.8 mm -40.15 -39.76 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.593 HD23 ' C ' ' A' ' 18' ' ' LEU . 6.1 tt -50.66 -67.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.804 HG21 ' HG3' ' A' ' 82' ' ' MET . 61.3 p -53.97 -18.99 4.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 1.3 tp60 -77.53 -49.41 14.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.6 mt -56.32 -58.41 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -45.57 -30.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -70.0 -58.39 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.49 -46.01 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -47.14 -55.72 7.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.595 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -59.84 -57.37 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.608 ' HA ' HD12 ' A' ' 30' ' ' LEU . 64.3 m -44.83 -57.99 3.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -43.68 -34.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.592 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 87.5 t90 -76.08 -57.37 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.638 HD22 ' CB ' ' A' ' 38' ' ' TYR . 13.5 mt -43.5 -38.76 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -87.12 -23.81 24.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -102.07 13.7 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' TRP . 6.7 t -115.24 -40.58 3.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 33' ' ' THR . . . 151.11 -11.69 0.79 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -113.62 84.47 8.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.92 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -22.02 32.87 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -68.98 -31.76 70.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.783 ' OH ' HG13 ' A' ' 54' ' ' VAL . 13.8 m-85 -75.59 -25.37 56.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -86.42 -21.1 27.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -86.83 -42.21 13.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 38' ' ' TYR . 11.0 mt -49.07 -38.9 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.459 ' CZ ' ' HB1' ' A' ' 23' ' ' ALA . 22.6 t80 -78.04 -36.46 48.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.7 -25.09 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.9 0.11 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 66.39 48.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.3 mt -100.0 -30.77 11.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.509 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 9.6 m-85 -54.01 160.45 2.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.78 160.51 87.95 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.356 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.597 HD11 HD22 ' A' ' 73' ' ' LEU . 29.2 pt -112.0 176.61 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' O ' HG23 ' A' ' 54' ' ' VAL . 1.5 m-20 -83.21 100.09 10.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.777 HD11 ' ND2' ' A' ' 77' ' ' ASN . 27.4 mm -63.65 -64.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.2 p -39.43 -39.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' VAL . 4.0 mm? -65.34 -51.79 58.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.89 HG11 HD11 ' A' ' 73' ' ' LEU . 75.2 t -37.75 -33.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ASP . 26.8 mttp -78.16 -51.6 9.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -55.7 -43.46 76.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -71.31 -44.57 64.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -105.09 40.85 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -65.74 -11.44 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -67.27 -39.89 86.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.2 mt -49.92 167.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.15 166.45 13.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -53.53 -46.94 70.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -60.12 -51.67 68.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.65 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.8 mm -60.99 -51.56 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -47.64 -54.78 10.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -66.1 -54.53 24.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -39.39 -46.24 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.68 -39.57 93.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 17.3 mmt180 -52.11 -26.51 11.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.592 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 11.4 mmt180 -87.57 -46.24 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.89 HD11 HG11 ' A' ' 54' ' ' VAL . 32.4 mt -55.84 -52.24 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.6 p30 -54.54 -42.17 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.489 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 96.2 m -54.14 -36.24 63.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 26' ' ' ALA . 28.7 mt -86.77 -30.42 21.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.777 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.9 m-80 -51.26 -32.85 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.475 ' HA ' HG12 ' A' ' 81' ' ' VAL . 47.0 pttt -98.31 -49.31 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 19' ' ' THR . 1.6 m -53.55 -15.35 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.26 -65.98 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' A' ' 78' ' ' LYS . 2.4 p -39.6 -32.04 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.804 ' HG3' HG21 ' A' ' 19' ' ' THR . 20.6 mmt -39.29 -43.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 82' ' ' MET . 1.1 tmtp? -32.87 -39.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' MET . 5.7 mp -71.95 -65.91 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -46.46 159.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -158.39 164.36 36.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.502 ' HA3' ' OD1' ' A' ' 14' ' ' ASP . . . -108.29 145.27 16.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.486 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -171.51 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' SER . 5.4 m -94.05 98.91 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' SER . 74.3 m -34.59 -58.68 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -101.14 171.56 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 m -156.97 139.8 15.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.25 -147.22 14.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -75.24 107.3 7.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -65.26 117.72 8.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.31 -110.63 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtp -128.83 -179.27 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.7 p -85.82 50.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -61.21 -62.67 1.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.11 125.81 29.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' CD ' ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -45.56 137.49 5.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 110.933 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HD2' ' CD ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.73 141.59 45.76 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.393 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -157.93 160.57 37.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.7 p -47.93 139.75 7.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.434 ' O ' ' CD ' ' A' ' 20' ' ' GLN . 56.2 mtm -123.65 -49.08 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 17' ' ' ILE . 5.1 mp -68.5 -39.96 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 tt -55.64 -53.48 55.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 p -55.04 -37.68 67.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.434 ' CD ' ' O ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -65.6 -47.56 75.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.6 mt -56.05 -51.58 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -52.29 -65.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB1' ' CE1' ' A' ' 42' ' ' TYR . . . -53.45 -45.44 69.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -44.31 -50.37 9.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -54.64 -55.95 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.78 -60.17 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.561 ' HA ' HD12 ' A' ' 30' ' ' LEU . 39.4 m -49.0 -49.06 42.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -52.76 -30.45 32.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.496 ' O ' ' N ' ' A' ' 32' ' ' ALA . 89.3 t90 -80.04 -59.12 2.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 27' ' ' CYS . 8.5 mt -42.63 -35.6 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -85.59 -25.29 26.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -104.83 13.63 30.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . 9.7 t -112.89 -40.62 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' N ' HG23 ' A' ' 33' ' ' THR . . . 152.27 -12.77 0.7 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.528 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 66.5 m-85 -109.77 85.72 4.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.892 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -15.4 37.18 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -80.38 -40.24 26.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.529 ' CB ' HD22 ' A' ' 30' ' ' LEU . 23.3 m-85 -68.82 -18.91 64.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -88.33 -19.05 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -93.14 -44.74 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 38' ' ' TYR . 52.9 mt -42.97 -50.59 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.666 ' CD2' HD22 ' A' ' 76' ' ' LEU . 41.6 t80 -63.92 -42.0 97.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.69 -21.4 60.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.23 5.3 48.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 61.02 47.38 7.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.53 -26.99 13.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.2 m-85 -56.0 160.86 4.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.7 Cg_endo -69.8 160.82 87.5 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.351 -0.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.671 HD11 HD13 ' A' ' 73' ' ' LEU . 14.3 pt -108.25 173.43 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.684 ' O ' HG23 ' A' ' 54' ' ' VAL . 31.8 p-10 -72.89 85.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.414 HD12 ' HB2' ' A' ' 73' ' ' LEU . 47.6 mm -59.72 -65.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.4 m -45.94 -32.14 2.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.7 ' O ' HD13 ' A' ' 53' ' ' LEU . 2.4 tm? -73.9 -39.71 63.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 50' ' ' ASP . 72.7 t -54.37 -25.41 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -81.79 -35.77 29.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.52 -39.15 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.47 -53.0 58.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -91.57 39.49 1.01 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -13.45 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -76.28 -31.84 58.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.72 164.37 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -88.68 173.34 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.417 ' HD3' ' C ' ' A' ' 63' ' ' ARG . 3.3 tmt_? -58.78 -44.8 90.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -64.25 -51.27 64.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.17 -53.37 43.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.3 mm -58.99 -42.94 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.04 -48.35 82.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.02 86.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 35' ' ' PHE . 27.6 tp -63.98 -50.83 67.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 13.8 t -65.5 -31.61 72.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -51.71 -21.2 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -96.42 -51.71 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.671 HD13 HD11 ' A' ' 49' ' ' ILE . 7.5 mt -52.96 -51.28 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' CG ' ' N ' ' A' ' 75' ' ' THR . 2.6 p30 -51.73 -46.14 63.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 35.8 m -59.7 -28.51 67.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.666 HD22 ' CD2' ' A' ' 42' ' ' TYR . 49.7 mt -82.47 -32.97 28.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.973 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -52.83 -61.51 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 79' ' ' CYS . 5.9 pttp -57.8 -34.0 69.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.5 t -70.92 -24.47 62.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.499 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -93.46 -21.83 19.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.973 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.8 t -94.76 -30.71 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -39.04 -25.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 81' ' ' VAL . 11.6 tmtt? -48.08 -47.15 34.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.52 -63.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -52.1 152.1 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.6 p -111.93 76.75 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.04 78.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -3.95 13.0 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.391 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.9 m -60.13 168.28 2.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.1 m -76.02 149.13 37.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.493 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m 44.31 48.5 7.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -100.43 -45.55 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.37 -163.78 12.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -114.86 166.24 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.86 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -95.11 42.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.38 99.45 2.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 ptt? -87.73 142.92 27.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.8 p -142.53 131.67 23.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -72.59 -63.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -89.65 174.16 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -104.05 146.07 31.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.873 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 124.76 11.38 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -59.24 -53.46 58.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.0 p -112.8 113.91 26.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.6 tpp -107.64 -49.43 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LEU . 4.9 mp -74.69 -52.9 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' ILE . 4.6 tt -35.44 -57.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.554 HG21 ' HG2' ' A' ' 82' ' ' MET . 3.4 m -47.79 -51.77 21.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -47.45 -43.17 23.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.6 mt -61.02 -63.53 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -42.65 -45.86 4.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 79' ' ' CYS . . . -66.25 -65.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 23' ' ' ALA . 3.6 tppp? -36.37 -53.83 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -40.88 -54.37 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.972 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -58.4 -52.52 65.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.901 ' HA ' HD12 ' A' ' 30' ' ' LEU . 92.8 m -53.07 -60.8 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 28' ' ' ASP . 35.9 t0 -43.75 -39.66 3.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.575 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 87.6 t90 -69.12 -50.96 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.901 HD12 ' HA ' ' A' ' 27' ' ' CYS . 12.4 mt -46.5 -37.91 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -86.22 -31.55 21.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.72 0.86 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TRP . 11.8 t -106.21 -35.94 7.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.83 -10.42 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.542 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -113.4 82.01 5.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -16.62 37.49 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -76.95 -37.49 55.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.763 ' CB ' HD22 ' A' ' 30' ' ' LEU . 8.1 m-85 -66.12 -18.93 65.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.435 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -91.55 -22.24 20.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -86.93 -42.68 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.708 ' HA ' HD12 ' A' ' 46' ' ' LEU . 21.6 mt -49.3 -46.94 47.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -67.29 -38.27 84.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.28 -18.53 62.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -95.8 12.93 28.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 58.87 47.79 12.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 41' ' ' LEU . 95.0 mt -105.4 -27.17 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.537 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.3 m-85 -65.78 160.76 59.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.615 0.722 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.81 159.76 89.29 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.293 0.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.626 HD11 HD22 ' A' ' 73' ' ' LEU . 34.7 pt -108.18 177.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.34 93.95 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.818 HD11 ' ND2' ' A' ' 77' ' ' ASN . 50.9 mm -55.38 -64.21 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p -39.58 -38.09 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HG3' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -66.99 -48.37 68.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.729 HG21 HD13 ' A' ' 73' ' ' LEU . 33.1 t -42.66 -37.98 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -77.72 -34.22 52.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 53' ' ' LEU . 25.5 ttt85 -66.31 -37.39 85.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 53' ' ' LEU . 6.8 mt-10 -81.93 -39.39 23.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -105.27 32.58 4.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.37 -34.69 66.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -53.84 -40.66 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB2' HD11 ' A' ' 66' ' ' ILE . 23.7 mt -40.99 161.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.97 165.87 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -59.6 -41.8 91.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -48.55 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.25 82.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 61' ' ' LEU . 9.7 mm -62.83 -55.78 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -46.19 -55.93 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.46 47.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.5 tp -40.2 -41.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.946 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 40.6 t -68.61 -44.76 73.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.418 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 28.9 mmm180 -48.06 -25.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.575 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 11.5 mmm180 -89.17 -44.74 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.729 HD13 HG21 ' A' ' 54' ' ' VAL . 83.5 mt -58.34 -52.43 65.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.9 OUTLIER -51.86 -43.35 63.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.502 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.0 m -54.12 -33.81 58.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.972 HD21 ' HB3' ' A' ' 26' ' ' ALA . 51.3 mt -90.17 -26.5 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.818 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.0 m-80 -56.38 -34.16 66.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -98.11 -37.78 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.478 ' O ' ' HE2' ' A' ' 82' ' ' MET . 1.6 m -64.09 -6.54 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.67 -31.14 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.8 t -83.97 -28.01 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.554 ' HG2' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -37.15 -28.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -67.33 -46.09 74.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 3.9 mt -38.96 -29.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 83' ' ' LYS . 13.0 mt-10 34.45 47.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 87' ' ' GLY . 78.2 p -94.4 144.05 25.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 86' ' ' SER . . . -32.93 96.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.435 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.428 ' N ' ' O ' ' A' ' 86' ' ' SER . 53.7 Cg_endo -69.81 138.81 38.55 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.1 m -97.14 137.1 36.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.0 t -41.46 -48.93 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t 57.17 44.66 21.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.845 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -103.38 82.66 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.09 131.82 10.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 p -100.84 43.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -157.2 147.71 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.47 -138.37 4.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 tpp -153.55 119.13 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.717 0.294 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.8 p -59.94 -48.75 80.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -91.09 163.59 14.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -130.98 134.64 46.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -112.29 81.18 3.76 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 106.83 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' THR . 16.6 t70 -102.77 124.03 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 14' ' ' ASP . 67.3 p 34.09 39.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.7 ptm -51.84 -44.19 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -53.07 -53.97 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.535 ' HA ' HD12 ' A' ' 21' ' ' ILE . 2.8 tt -60.47 -54.72 42.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.955 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.1 m -45.61 -48.51 14.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -55.3 -48.3 74.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 18' ' ' LEU . 40.4 mt -56.02 -52.56 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -50.08 -59.91 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 79' ' ' CYS . . . -54.81 -51.43 65.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -43.0 -61.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -38.54 -50.26 1.56 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.521 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -58.36 -50.77 72.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.84 -56.6 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -50.62 -33.44 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.525 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 90.2 t90 -73.53 -55.51 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 38' ' ' TYR . 27.9 mt -45.26 -38.06 5.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -87.32 -27.32 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.81 7.2 46.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.1 t -112.17 -41.25 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.417 ' N ' ' CG2' ' A' ' 33' ' ' THR . . . 154.89 -17.03 0.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' LEU . 49.0 m-85 -110.07 81.23 2.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.721 . . . . 0.0 110.919 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -20.12 35.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.728 2.285 . . . . 0.0 112.341 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -72.55 -35.96 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.696 ' HB3' HD13 ' A' ' 30' ' ' LEU . 3.6 m-85 -63.84 -28.14 69.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -84.13 -22.54 31.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.0 -42.29 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 mt -49.57 -45.25 47.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -69.33 -37.12 77.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.46 -27.28 67.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -94.17 6.12 49.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 63.21 46.28 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.9 mt -95.7 -32.12 12.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.523 ' CE2' HG12 ' A' ' 49' ' ' ILE . 8.1 m-85 -55.88 160.86 3.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.77 163.75 81.05 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.342 0.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.523 HG12 ' CE2' ' A' ' 47' ' ' PHE . 18.2 pt -110.65 172.42 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.75 92.11 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.7 HD11 ' ND2' ' A' ' 77' ' ' ASN . 42.7 mm -57.95 -62.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.4 p -43.13 -37.1 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.511 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -68.29 -44.52 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.623 HG13 ' OH ' ' A' ' 38' ' ' TYR . 61.8 t -51.17 -28.54 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -82.03 -45.17 15.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -58.21 -43.13 87.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -69.59 -48.9 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.414 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 3.9 m80 -97.09 36.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -58.55 -28.0 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.414 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 51.7 p90 -56.24 -41.95 76.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.8 mt -48.78 160.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.67 145.84 25.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -39.35 -50.37 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.3 -46.86 82.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.19 88.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.4 mm -67.26 -60.17 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -38.43 -43.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.811 ' HB1' ' NH2' ' A' ' 72' ' ' ARG . . . -65.37 -51.57 59.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.33 -49.3 76.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 52.4 t -58.6 -42.37 87.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.406 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 37.1 mtt180 -49.92 -30.16 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.811 ' NH2' ' HB1' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -88.27 -42.6 12.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.539 HD11 HG11 ' A' ' 54' ' ' VAL . 28.3 mt -58.79 -55.56 33.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.9 p30 -50.7 -40.94 55.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.462 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 49.5 m -53.55 -35.65 60.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 26' ' ' ALA . 48.0 mt -88.31 -24.84 23.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.7 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.8 m-80 -57.63 -33.69 68.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.778 ' HA ' HG12 ' A' ' 81' ' ' VAL . 16.3 pttm -98.21 -37.81 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 1.6 m -63.7 -6.22 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.25 -10.67 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.778 HG12 ' HA ' ' A' ' 78' ' ' LYS . 9.9 p -120.61 1.39 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.629 ' HE1' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -73.65 3.72 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.629 ' N ' ' HE1' ' A' ' 82' ' ' MET . 5.7 ttmt -82.15 -46.35 13.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 mp -80.8 -56.78 3.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -53.54 140.94 26.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.0 t -129.31 -50.53 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.27 -167.39 3.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 131.7 21.79 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.724 2.283 . . . . 0.0 112.336 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.0 m -75.95 158.18 32.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.3 p -135.33 130.19 34.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.509 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 p -121.42 170.05 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.1 m -136.69 112.4 9.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.11 154.45 53.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -106.23 -44.54 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.835 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m 52.83 43.12 31.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.35 124.82 1.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.446 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.5 mtt -64.6 109.45 2.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.3 m -110.25 141.5 43.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -65.13 115.96 6.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -90.24 153.35 20.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -115.59 80.98 8.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.541 0.686 . . . . 0.0 110.898 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ASP . 53.9 Cg_endo -69.77 1.38 4.49 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.379 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' PRO . 16.2 t70 -34.82 -48.18 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.4 p -123.82 61.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.0 ttp -98.55 -41.13 7.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.669 ' O ' HD12 ' A' ' 21' ' ' ILE . 5.3 mm -71.07 -47.02 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 tt -53.78 -63.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 p -42.11 -52.05 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -38.17 -50.02 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 17' ' ' ILE . 4.6 mp -60.31 -63.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -42.59 -61.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.6 -60.7 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -37.1 -49.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -52.2 -48.24 65.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.822 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -64.01 -60.5 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.783 ' HA ' HD12 ' A' ' 30' ' ' LEU . 68.3 m -48.24 -56.64 7.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -45.69 -36.77 5.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.6 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 84.3 t90 -74.49 -58.05 3.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 27' ' ' CYS . 6.8 mt -42.82 -36.6 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.95 -23.21 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -104.34 13.63 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' TRP . 7.5 t -113.78 -40.44 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 33' ' ' THR . . . 153.53 -13.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE1' ' NE2' ' A' ' 58' ' ' HIS . 81.5 m-85 -114.11 82.55 7.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -16.51 37.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -75.67 -31.76 59.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.792 ' OH ' HG22 ' A' ' 54' ' ' VAL . 10.0 m-85 -73.37 -19.59 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.13 -18.46 27.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -90.85 -40.36 11.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 38' ' ' TYR . 10.6 mt -47.5 -44.22 25.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.5 -36.56 68.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.52 -20.49 65.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -100.02 5.97 45.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 62.23 45.28 6.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.65 -30.51 13.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.49 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 7.9 m-85 -54.21 160.88 2.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.835 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.76 171.05 55.48 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.338 0.007 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.754 HD11 HD22 ' A' ' 73' ' ' LEU . 17.6 pt -122.26 169.07 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -80.35 100.53 8.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.604 HD11 ' ND2' ' A' ' 77' ' ' ASN . 49.5 mm -63.46 -48.39 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 p -53.5 -19.46 3.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.554 HD21 HH21 ' A' ' 56' ' ' ARG . 0.3 OUTLIER -84.66 -49.98 8.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.87 HG11 HD11 ' A' ' 73' ' ' LEU . 70.0 t -46.45 -39.88 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -73.16 -27.72 61.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.554 HH21 HD21 ' A' ' 53' ' ' LEU . 1.3 tmm_? -72.04 -40.11 68.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -68.75 -49.19 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.514 ' NE2' ' CE1' ' A' ' 35' ' ' PHE . 6.7 m-70 -99.23 32.61 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.48 -22.99 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.508 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 54.5 p90 -67.67 -37.65 82.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.4 mt -42.27 164.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.23 153.84 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -48.76 -45.76 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.32 -46.97 86.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.12 -51.11 71.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 67' ' ' GLU . 17.7 mm -59.85 -60.44 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' ILE . 9.8 mt-10 -35.74 -47.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -69.33 -58.71 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.668 HD21 ' CG1' ' A' ' 54' ' ' VAL . 11.3 tp -38.03 -46.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 53.0 t -62.85 -40.04 96.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 68' ' ' ALA . 2.8 mmp_? -54.44 -20.56 7.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.6 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 17.3 mmt180 -96.27 -36.95 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.87 HD11 HG11 ' A' ' 54' ' ' VAL . 86.8 mt -68.34 -58.25 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -47.31 -44.53 23.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.5 m -50.8 -48.11 59.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.822 HD21 ' HB3' ' A' ' 26' ' ' ALA . 29.6 mt -72.81 -37.3 67.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.604 ' ND2' HD11 ' A' ' 51' ' ' ILE . 4.2 m-80 -54.51 -31.94 57.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -98.15 -23.1 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.02 -8.13 58.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -97.67 -38.68 9.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 82' ' ' MET . 10.8 p -84.61 -23.02 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.487 ' SD ' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -37.46 -34.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.487 ' N ' ' SD ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -39.62 -48.76 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 84' ' ' LEU . 3.8 mm? -57.43 -66.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -110.89 120.3 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -50.53 172.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.57 83.44 0.33 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -10.52 28.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.5 p -97.77 167.62 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.0 p -169.87 133.55 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.462 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -143.59 177.03 8.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p -113.8 41.98 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.06 -178.46 43.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -75.59 142.09 42.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -131.56 178.48 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.52 -56.71 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.445 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.3 ttp -49.62 103.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.7 m -56.57 -63.63 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -159.0 140.11 12.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -174.96 145.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.97 144.11 0.81 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.552 0.692 . . . . 0.0 110.897 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 2.83 3.2 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.323 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t70 73.27 45.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.458 ' HB ' ' CB ' ' A' ' 18' ' ' LEU . 3.0 m -68.86 115.89 8.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.509 ' CG ' HD12 ' A' ' 17' ' ' ILE . 18.3 ptm -65.3 -37.2 86.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.509 HD12 ' CG ' ' A' ' 16' ' ' MET . 3.0 mp -69.44 -32.14 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.555 ' HA ' HD12 ' A' ' 21' ' ' ILE . 8.9 tt -61.81 -49.22 77.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.8 p -59.43 -40.72 87.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -56.96 -42.74 80.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 18' ' ' LEU . 20.6 mt -61.15 -65.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -43.7 -57.25 3.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.63 68.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -44.5 -45.13 9.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.39 -55.04 36.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.838 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -54.07 -58.16 8.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.3 m -50.07 -56.14 12.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 18.1 t70 -48.92 -32.09 8.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' THR . 89.1 t90 -78.18 -62.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.455 HD22 ' HB3' ' A' ' 38' ' ' TYR . 11.7 mt -41.08 -36.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.54 -29.49 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -98.67 14.45 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.8 t -114.51 -38.71 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.14 -14.97 1.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -110.51 82.59 2.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -21.13 33.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 pm0 -70.82 -28.36 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.687 ' OH ' HG22 ' A' ' 54' ' ' VAL . 9.7 m-85 -77.92 -18.74 55.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.56 -19.45 22.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -88.7 -39.93 13.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 38' ' ' TYR . 11.6 mt -49.76 -43.69 48.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -72.56 -34.37 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -60.4 -30.93 69.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.33 5.48 49.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 63.33 48.22 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 41' ' ' LEU . 86.9 mt -96.27 -29.98 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.519 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.3 m-85 -54.61 160.34 2.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.81 160.49 88.07 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.344 0.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.519 HG12 ' CE2' ' A' ' 47' ' ' PHE . 37.3 pt -108.99 168.72 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.44 90.62 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.485 HD11 ' OD1' ' A' ' 77' ' ' ASN . 50.9 mm -54.47 -64.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -40.2 -31.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.48 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -67.15 -49.1 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.943 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.855 HG21 ' CD1' ' A' ' 73' ' ' LEU . 54.7 t -43.96 -34.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -76.5 -42.85 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -59.26 -43.02 92.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -76.28 -44.41 37.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -100.65 36.2 1.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -41.79 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -45.28 -43.21 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.5 mt -44.07 160.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -91.69 158.68 16.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -48.17 -44.95 33.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -65.59 -45.24 83.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.34 89.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 67' ' ' GLU . 20.6 mm -65.4 -62.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' ILE . 9.8 mt-10 -35.79 -45.37 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.94 67.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.437 HD21 ' CG1' ' A' ' 54' ' ' VAL . 27.5 tp -57.48 -42.31 82.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.5 t -66.56 -41.8 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.459 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 43.9 mtt180 -45.9 -26.42 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -90.59 -55.27 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.855 ' CD1' HG21 ' A' ' 54' ' ' VAL . 13.5 mt -50.09 -55.77 13.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.9 p30 -49.07 -49.0 43.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.451 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 53.7 m -52.39 -35.43 51.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.838 HD21 ' HB3' ' A' ' 26' ' ' ALA . 42.2 mt -81.1 -42.42 21.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.485 ' OD1' HD11 ' A' ' 51' ' ' ILE . 4.2 m120 -50.19 -27.54 6.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -92.58 -41.18 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.413 ' O ' ' SD ' ' A' ' 82' ' ' MET . 1.2 t -72.09 -5.24 33.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.512 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -98.0 -24.75 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 82' ' ' MET . 8.0 p -125.98 -0.67 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.508 ' N ' ' SD ' ' A' ' 82' ' ' MET . 0.1 OUTLIER -33.54 -40.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -38.92 -50.37 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.58 -48.81 73.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.55 156.58 19.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.1 m -45.04 144.39 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -169.18 -80.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 119.05 6.05 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.366 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 t -119.52 -58.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.2 m -91.45 110.97 22.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 p 41.35 42.53 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -107.67 133.73 51.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.55 105.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 p -124.7 129.82 51.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.827 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -153.19 166.22 33.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.68 -47.56 23.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.36 167.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 p -171.91 166.4 6.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HD3' ' CG ' ' A' ' 12' ' ' LYS . 17.0 ttt-85 -101.18 144.85 29.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -52.12 -19.16 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.468 ' CG ' ' HD3' ' A' ' 10' ' ' ARG . 26.8 mmtp -53.23 142.44 37.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.552 0.692 . . . . 0.0 110.909 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -10.67 29.18 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.335 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -44.52 116.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.476 ' HB ' ' CB ' ' A' ' 18' ' ' LEU . 88.8 m -165.73 130.74 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.3 ttt -47.95 -48.63 31.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.731 ' O ' HD12 ' A' ' 21' ' ' ILE . 5.8 mm -70.09 -60.43 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.529 ' HA ' HD13 ' A' ' 21' ' ' ILE . 6.2 tt -41.32 -50.93 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -51.48 -50.04 60.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -48.2 -40.33 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 17' ' ' ILE . 5.3 mp -70.16 -62.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -46.03 -39.77 9.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.71 -61.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -38.81 -43.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.52 ' OE2' HG22 ' A' ' 21' ' ' ILE . 38.4 mt-10 -53.76 -48.55 69.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.11 -58.67 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.831 ' HA ' HD12 ' A' ' 30' ' ' LEU . 65.1 m -52.83 -60.91 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 5.4 t70 -41.58 -40.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.502 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 90.4 t90 -72.77 -48.22 40.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 27' ' ' CYS . 16.2 mt -49.69 -41.49 43.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -87.77 -25.71 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 28' ' ' ASP . . . -92.88 8.16 40.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' TRP . 4.8 t -115.08 -37.44 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.86 -13.9 0.66 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -109.15 82.49 1.95 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -18.58 36.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -75.51 -40.72 56.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.694 ' HB3' HD22 ' A' ' 30' ' ' LEU . 6.4 m-85 -61.6 -28.15 69.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.06 -13.57 46.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -91.2 -44.09 9.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.1 mt -46.76 -41.25 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -73.33 -37.26 66.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.52 -24.1 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -97.41 -0.38 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 68.18 50.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.42 -31.57 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.503 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 12.9 m-85 -55.03 159.88 3.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.671 0.748 . . . . 0.0 110.83 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.78 162.84 83.34 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.327 0.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.084 HD11 HD12 ' A' ' 73' ' ' LEU . 21.8 pt -114.4 167.16 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -80.2 91.01 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.678 HD11 ' OD1' ' A' ' 77' ' ' ASN . 42.3 mm -52.66 -41.45 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.1 p -46.0 -47.59 16.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' LYS . 3.2 mt -63.18 -49.17 75.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.673 HG13 ' OH ' ' A' ' 38' ' ' TYR . 76.6 t -37.97 -26.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.147 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' LEU . 37.7 mttt -87.68 -54.59 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.48 ' CD ' HD22 ' A' ' 53' ' ' LEU . 6.0 ptm180 -55.86 -44.0 77.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 56' ' ' ARG . 63.8 mm-40 -67.53 -42.24 83.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -104.41 44.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.72 -27.98 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -60.48 -17.85 47.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.64 164.08 26.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.03 142.79 27.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 63' ' ' ARG . 7.2 tmm_? -38.21 -48.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -59.38 -43.93 92.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.26 -51.02 69.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.0 mm -58.78 -47.7 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -49.62 -47.31 49.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -70.54 -60.18 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' ALA . 9.8 tp -37.83 -50.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 37.7 t -52.87 -42.94 65.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.432 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 8.0 mmt85 -45.28 -23.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.502 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -90.35 -48.78 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.084 HD12 HD11 ' A' ' 49' ' ' ILE . 2.0 mm? -56.55 -60.69 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.4 p30 -45.4 -44.09 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.6 m -52.18 -37.49 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt -85.26 -30.38 23.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.678 ' OD1' HD11 ' A' ' 51' ' ' ILE . 3.2 m120 -51.91 -35.07 44.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.15 -37.18 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.54 -7.67 27.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.36 -36.72 10.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.6 t -76.29 -36.77 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -34.15 -32.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 81' ' ' VAL . 9.0 tmtm? -39.01 -47.31 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 85' ' ' GLU . 4.6 mp -93.76 -46.85 7.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 84' ' ' LEU . 1.3 tm-20 -34.99 113.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 m -143.39 176.89 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.23 178.84 37.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -15.73 37.36 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.305 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 81.0 p -53.33 137.94 33.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -58.6 94.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 p -142.39 169.22 17.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -68.02 93.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.87 128.88 9.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 m -79.99 -61.27 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -52.23 -44.18 64.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.25 114.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 tpt -92.31 97.44 10.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.5 p 39.15 42.04 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -84.46 163.65 19.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -69.63 179.66 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -134.52 81.53 48.14 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.545 0.688 . . . . 0.0 110.913 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.422 ' O ' HG23 ' A' ' 15' ' ' THR . 54.1 Cg_endo -69.79 146.97 61.62 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.248 . . . . 0.0 112.355 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -49.9 119.46 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 13' ' ' PRO . 28.7 p -133.66 61.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.13 -13.55 28.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.2 mp -77.51 -42.12 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.23 -49.45 77.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.3 p -53.43 -50.01 66.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -41.55 -31.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.4 mt -80.15 -59.4 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -50.24 -53.65 26.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.89 -61.0 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -37.05 -51.32 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -49.8 -53.84 22.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.59 -59.43 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.524 ' HA ' HD12 ' A' ' 30' ' ' LEU . 87.1 m -46.23 -56.67 5.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -50.17 -39.75 44.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.591 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 91.7 t90 -69.01 -53.94 17.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 27' ' ' CYS . 31.6 mt -44.69 -41.65 6.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.47 -18.9 28.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.25 8.93 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.1 t -114.02 -36.57 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.32 -15.75 0.66 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.548 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.404 ' CE2' HD13 ' A' ' 69' ' ' LEU . 66.2 m-85 -108.91 81.76 1.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -7.51 21.22 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -87.91 -41.54 13.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.811 ' OH ' HG22 ' A' ' 54' ' ' VAL . 8.3 m-85 -60.68 -25.06 66.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -84.39 -19.73 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -88.26 -46.05 9.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.0 mt -46.04 -40.91 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -77.0 -26.61 54.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.16 -28.93 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -89.25 -2.11 58.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 71.9 46.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.42 -30.39 12.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.523 ' CE2' HG12 ' A' ' 49' ' ' ILE . 8.5 m-85 -54.28 160.71 2.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.2 Cg_endo -69.72 162.61 83.66 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.407 -0.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.523 HG12 ' CE2' ' A' ' 47' ' ' PHE . 22.3 pt -114.31 170.01 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.94 100.62 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.499 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 51.0 mm -65.58 -51.31 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.2 p -50.07 -31.91 14.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.72 -50.61 19.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.811 HG22 ' OH ' ' A' ' 38' ' ' TYR . 23.3 t -40.87 -41.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -72.02 -45.94 59.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -36.68 62.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.17 -46.9 39.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -102.54 41.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -17.6 22.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -68.0 -41.54 82.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.8 mt -43.05 165.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -90.46 166.89 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.3 ttt-85 -55.94 -49.14 74.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -63.57 -42.19 98.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.72 -48.24 81.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 66' ' ' ILE . 12.2 mm -59.03 -51.83 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.15 -46.34 82.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.21 76.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD13 ' CE2' ' A' ' 35' ' ' PHE . 3.6 tp -74.24 -48.39 29.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.4 t -56.87 -34.07 67.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.462 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 31.6 mtp180 -56.74 -17.84 10.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.591 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 2.8 mpt_? -96.14 -47.75 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.499 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.2 mm? -59.24 -55.65 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.0 OUTLIER -49.25 -46.35 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.488 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.6 m -52.28 -36.13 51.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mt -85.52 -32.04 22.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.534 ' O ' HG23 ' A' ' 81' ' ' VAL . 3.1 m120 -51.29 -32.14 23.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -98.07 -39.89 8.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.27 -6.65 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.55 -34.37 10.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.5 t -77.69 -36.99 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.454 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -34.01 -33.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 81' ' ' VAL . 11.7 ttpp -37.54 -58.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 mp -65.01 -42.45 94.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -44.07 -31.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.2 t -54.97 161.31 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.3 149.99 2.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -1.0 7.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 m -44.79 -43.27 8.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.9 p -113.94 121.63 44.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 m -92.96 143.08 26.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.375 . . . . 0.0 110.875 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 p -52.73 -55.65 21.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.43 174.59 15.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 p -58.49 116.88 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -106.12 124.72 50.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.5 58.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.5 mtp -83.66 132.26 34.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 p -165.13 168.08 17.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 1.7 mpt_? -66.05 119.26 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -89.58 158.09 17.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -56.61 122.65 52.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.547 0.689 . . . . 0.0 110.908 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -20.09 35.14 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.308 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 15' ' ' THR . 18.9 m-20 -130.61 162.68 28.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' ASP . 73.3 p 36.81 48.03 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.5 ptp -82.36 -26.6 32.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.5 mm -78.71 -54.63 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tt -45.15 -66.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 p -45.99 -50.09 15.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 18.5 tt0 -50.03 -45.21 51.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.97 -66.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -47.61 -58.46 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.576 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -55.3 -40.99 71.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 3.4 tppp? -60.75 -41.52 95.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.05 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.979 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -59.41 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.595 ' SG ' ' CD1' ' A' ' 42' ' ' TYR . 24.9 m -43.09 -59.95 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -43.6 -48.42 7.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' THR . 91.1 t90 -58.22 -61.5 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.0 mt -40.2 -40.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 5.4 tpt180 -87.76 -25.02 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -98.36 11.77 37.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' TRP . 6.1 t -116.34 -31.36 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.73 -10.64 1.44 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.433 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -109.0 80.92 1.4 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.76 19.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -93.22 -39.95 10.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.67 ' OH ' HG22 ' A' ' 54' ' ' VAL . 9.7 m-85 -67.78 -20.14 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -85.6 -18.58 32.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -93.11 -43.61 8.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.734 ' HA ' HD12 ' A' ' 46' ' ' LEU . 90.4 mt -44.55 -48.35 10.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.595 ' CD1' ' SG ' ' A' ' 27' ' ' CYS . 31.4 t80 -65.19 -34.29 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -74.36 -19.05 60.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.21 5.76 50.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.822 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 62.39 46.97 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 41' ' ' LEU . 20.7 mt -103.45 -24.27 13.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.51 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 9.1 m-85 -62.77 158.78 49.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.657 0.742 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.3 Cg_endo -69.79 157.08 92.51 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.35 0.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.432 HD11 HD12 ' A' ' 73' ' ' LEU . 28.6 pt -105.23 174.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.98 94.33 9.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.529 HD11 ' ND2' ' A' ' 77' ' ' ASN . 35.6 mm -62.46 -40.58 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 p -59.31 -26.99 65.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -80.79 -50.04 10.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.67 HG22 ' OH ' ' A' ' 38' ' ' TYR . 56.1 t -41.63 -31.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -83.7 -43.14 15.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -60.68 -42.91 98.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -71.61 -48.24 49.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -98.8 44.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -20.03 65.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -62.74 -32.03 73.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.568 HD22 ' HB1' ' A' ' 65' ' ' ALA . 13.6 mt -54.24 168.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -94.2 158.47 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -48.57 -46.97 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.45 -44.96 89.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -57.59 -49.24 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.7 mm -67.22 -58.62 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -41.02 -43.8 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 69' ' ' LEU . . . -73.52 -61.06 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.602 HD11 HD21 ' A' ' 73' ' ' LEU . 9.6 tp -36.55 -50.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 t -52.88 -48.81 66.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -37.72 -38.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -76.29 -55.19 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.602 HD21 HD11 ' A' ' 69' ' ' LEU . 2.4 mm? -49.37 -64.19 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.449 ' CG ' ' N ' ' A' ' 75' ' ' THR . 0.5 OUTLIER -46.05 -48.96 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 15.7 m -49.53 -31.68 10.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.979 HD21 ' HB3' ' A' ' 26' ' ' ALA . 3.1 mt -88.43 -39.74 14.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.529 ' ND2' HD11 ' A' ' 51' ' ' ILE . 12.1 m-80 -52.63 -49.35 65.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -72.17 -15.53 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -92.86 -19.79 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.13 -27.44 17.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 83' ' ' LYS . 8.9 p -97.77 -22.89 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -37.5 -28.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 81' ' ' VAL . 28.8 tptt -52.5 -53.18 49.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -71.48 -50.71 28.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -57.32 122.53 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.1 t -148.0 155.16 41.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.25 -157.89 30.12 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.98 9.41 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.3 p -93.56 155.59 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.5 t -97.3 150.14 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t 41.3 42.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.839 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -130.85 169.77 15.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.55 153.3 5.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -173.01 176.68 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -164.72 166.13 20.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.66 89.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttt -98.67 100.49 11.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.9 m -149.69 154.92 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -107.2 100.92 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -140.92 132.92 27.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -101.89 143.27 26.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HG2' ' CG ' ' A' ' 16' ' ' MET . 53.1 Cg_endo -69.8 161.3 46.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.256 . . . . 0.0 112.284 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.08 -56.41 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.9 p -86.98 98.3 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.416 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 37.6 mtm -117.45 -39.83 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.4 mp -76.21 -40.03 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 18' ' ' LEU . 7.7 tt -68.69 -57.71 5.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.504 HG21 ' SD ' ' A' ' 82' ' ' MET . 26.3 m -57.44 -51.35 69.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -41.01 -47.18 3.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 mt -57.75 -64.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.94 -47.83 32.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.02 83.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -53.62 -42.8 68.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.91 -48.37 73.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -61.33 -55.86 26.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.9 m -52.52 -49.68 64.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -49.42 -35.34 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.595 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 89.4 t90 -78.68 -62.34 1.72 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.683 HD22 ' CB ' ' A' ' 38' ' ' TYR . 12.1 mt -40.53 -34.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -86.53 -30.54 21.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -100.69 15.44 28.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' TRP . 11.5 t -113.15 -39.88 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' N ' HG23 ' A' ' 33' ' ' THR . . . 148.2 -13.62 1.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -111.98 83.11 4.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.52 37.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.24 . . . . 0.0 112.357 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -74.53 -25.29 59.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.683 ' CB ' HD22 ' A' ' 30' ' ' LEU . 13.2 m-85 -83.67 -15.85 47.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.79 -14.59 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -95.15 -40.54 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.689 HD23 HD12 ' A' ' 46' ' ' LEU . 10.2 mt -45.16 -50.73 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -64.45 -37.15 86.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.56 -30.17 69.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -93.21 8.39 40.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 60.52 46.54 9.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.689 HD12 HD23 ' A' ' 41' ' ' LEU . 24.3 mt -94.65 -31.37 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.6 m-85 -58.76 160.46 10.53 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.78 160.75 87.56 Favored 'Cis proline' 0 C--N 1.342 0.22 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.349 -0.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.561 HG12 ' CE2' ' A' ' 47' ' ' PHE . 10.1 pt -111.54 175.81 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -82.97 98.94 9.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.787 HD11 ' ND2' ' A' ' 77' ' ' ASN . 35.4 mm -63.16 -57.73 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.2 p -46.32 -36.45 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.449 HD13 ' HD2' ' A' ' 56' ' ' ARG . 3.0 mm? -67.22 -48.8 66.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 1.04 HG11 HD11 ' A' ' 73' ' ' LEU . 57.0 t -54.06 -24.88 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -83.85 -43.84 14.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.449 ' HD2' HD13 ' A' ' 53' ' ' LEU . 11.6 ptp180 -71.15 -27.98 63.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.31 -40.35 62.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.507 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . 22.6 m-70 -105.36 38.09 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -21.09 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 58' ' ' HIS . 54.5 p90 -66.91 -42.32 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.48 HD22 ' HB1' ' A' ' 65' ' ' ALA . 19.4 mt -46.04 166.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -91.59 156.82 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -43.54 -54.8 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.21 -48.06 77.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.48 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -56.35 -50.71 70.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.471 HD11 ' HB2' ' A' ' 61' ' ' LEU . 22.6 mm -61.81 -55.06 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -44.08 -52.31 7.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.84 -57.04 8.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 tp -39.74 -38.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 39.1 t -73.22 -43.6 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -38.5 -35.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.595 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 10.1 mpt_? -84.42 -47.15 10.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.04 HD11 HG11 ' A' ' 54' ' ' VAL . 51.8 mt -53.18 -55.72 22.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.493 ' CG ' ' N ' ' A' ' 75' ' ' THR . 1.6 p30 -54.43 -52.04 63.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.493 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 61.9 m -47.78 -31.5 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.7 HD21 ' HB3' ' A' ' 26' ' ' ALA . 89.0 mt -88.1 -31.65 19.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.787 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.7 m-80 -53.4 -33.18 52.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.657 ' HA ' HG12 ' A' ' 81' ' ' VAL . 5.8 pttp -98.22 -37.18 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m -66.74 -6.52 16.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -108.57 -47.47 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.657 HG12 ' HA ' ' A' ' 78' ' ' LYS . 7.6 p -64.16 -17.68 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.512 ' HE3' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -77.45 10.38 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.512 ' N ' ' HE3' ' A' ' 82' ' ' MET . 0.1 OUTLIER -82.11 -53.29 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.8 mp -52.38 -54.45 31.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -141.6 154.88 45.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.8 m -69.29 144.05 53.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.02 83.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 89' ' ' SER . 54.4 Cg_endo -69.76 -44.78 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' PRO . 57.5 p 36.65 44.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.3 m -142.5 126.47 17.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.2 -62.58 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -37.3 -47.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -56.48 -52.97 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.59 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -58.23 -55.25 37.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.486 ' HA ' HD12 ' A' ' 30' ' ' LEU . 76.1 m -53.47 -58.79 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -43.19 -39.81 3.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.625 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 76.3 t90 -70.95 -51.99 22.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 27' ' ' CYS . 77.1 mt -44.22 -40.68 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -90.12 -28.48 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.21 15.13 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.561 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 7.1 t -118.36 -37.11 3.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.32 -12.22 0.91 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -110.1 81.08 2.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.8 14.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.322 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -90.44 -32.65 16.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.619 ' OH ' HG13 ' A' ' 54' ' ' VAL . 11.1 m-85 -73.2 -24.59 60.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -84.97 -19.02 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -87.09 -34.35 19.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 HD12 ' A' ' 46' ' ' LEU . 67.2 mt -54.43 -58.95 5.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.418 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 6.3 t80 -56.13 -38.89 71.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -59.42 -28.14 66.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -95.28 13.89 24.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 56.34 43.14 26.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.448 HD12 HD23 ' A' ' 41' ' ' LEU . 33.3 mt -92.43 -30.3 15.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.551 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.7 m-85 -58.64 160.76 9.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.7 Cg_endo -69.79 157.56 92.03 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.344 -0.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.551 HG12 ' CE2' ' A' ' 47' ' ' PHE . 26.3 pt -107.65 168.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -76.6 91.47 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.519 HD12 ' HB2' ' A' ' 73' ' ' LEU . 46.7 mm -59.01 -51.9 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.5 p -53.82 -25.92 21.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.707 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.7 tm? -75.28 -51.93 12.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.619 HG13 ' OH ' ' A' ' 38' ' ' TYR . 78.6 t -49.77 -24.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' ASP . 36.0 mttt -86.3 -55.65 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.45 ' HD3' ' CD2' ' A' ' 53' ' ' LEU . 8.3 ptm180 -53.55 -41.63 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HG3' HD11 ' A' ' 53' ' ' LEU . 6.9 mm-40 -73.61 -34.44 65.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -105.23 28.92 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -53.22 -24.52 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.49 ' CE2' ' HG ' ' A' ' 61' ' ' LEU . 46.5 p90 -57.74 -42.06 83.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.654 ' HB2' HD11 ' A' ' 66' ' ' ILE . 47.5 mt -52.69 166.0 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -89.69 166.71 13.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -53.42 -48.27 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -61.44 -53.73 52.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.34 70.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.654 HD11 ' HB2' ' A' ' 61' ' ' LEU . 11.9 mm -62.65 -57.99 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.65 -48.65 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.692 ' HB1' ' NH2' ' A' ' 72' ' ' ARG . . . -59.15 -47.01 86.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.47 -43.54 98.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.28 -41.29 90.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 6.0 mtp-105 -47.46 -22.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.692 ' NH2' ' HB1' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -93.53 -49.65 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.54 HD11 HG11 ' A' ' 54' ' ' VAL . 33.4 mt -53.42 -52.59 58.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.526 ' CG ' ' N ' ' A' ' 75' ' ' THR . 2.0 p30 -54.21 -54.01 45.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.526 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 50.5 m -46.07 -28.57 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.59 HD21 ' HB3' ' A' ' 26' ' ' ALA . 90.1 mt -91.06 -36.72 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.434 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.5 m-80 -49.24 -28.34 4.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HA ' HG12 ' A' ' 81' ' ' VAL . 27.1 pttt -98.2 -35.54 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -72.34 -6.13 41.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.15 -8.72 15.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 78' ' ' LYS . 4.2 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.855 0.36 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.31 -57.96 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.29 -53.19 6.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -47.45 -51.78 19.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.918 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -59.98 -49.61 76.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.3 m -53.53 -56.54 16.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 17.2 t0 -48.37 -30.27 4.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.496 ' CZ3' HG21 ' A' ' 33' ' ' THR . 88.1 t90 -78.13 -60.01 2.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' A' ' 38' ' ' TYR . 29.5 mt -41.27 -37.91 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -87.29 -35.62 18.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 28' ' ' ASP . . . -89.41 14.55 11.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.496 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 11.6 t -116.26 -32.43 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.63 -14.09 2.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -107.52 80.72 0.96 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -3.95 13.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.385 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -92.4 -38.9 11.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.665 ' HA ' HD12 ' A' ' 41' ' ' LEU . 8.2 m-85 -63.86 -26.01 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.44 -14.63 45.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -92.14 -41.57 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 38' ' ' TYR . 13.4 mt -47.83 -44.71 29.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -71.12 -34.16 70.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -63.03 -22.03 66.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -99.3 1.53 44.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 69.25 45.49 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.3 mt -95.94 -28.93 14.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.543 ' CE2' HG12 ' A' ' 49' ' ' ILE . 8.1 m-85 -59.57 160.88 12.35 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.73 158.77 90.55 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.353 -0.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.604 HD11 HD22 ' A' ' 73' ' ' LEU . 38.8 pt -104.78 175.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 54' ' ' VAL . 53.1 m-20 -85.92 96.55 9.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.515 HD11 ' ND2' ' A' ' 77' ' ' ASN . 51.3 mm -63.25 -63.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 p -42.19 -26.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -79.84 -48.71 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.689 HG11 HD11 ' A' ' 73' ' ' LEU . 91.8 t -48.85 -27.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -89.21 -46.94 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttt85 -55.82 -39.53 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -77.99 -42.91 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -96.32 32.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -28.12 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -54.65 -44.81 73.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.5 mt -45.2 161.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.946 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.54 161.22 22.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -52.21 -48.15 65.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -61.61 -46.72 88.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.07 84.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.2 mm -67.0 -64.97 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -42.4 -36.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.28 -55.97 8.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.8 tp -56.49 -45.08 81.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 41.3 t -58.85 -40.87 85.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 89.3 mtt180 -59.17 -19.09 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.481 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 22.8 mmt-85 -92.95 -45.2 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.689 HD11 HG11 ' A' ' 54' ' ' VAL . 31.5 mt -61.31 -56.5 19.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -47.36 -43.58 23.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.47 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.0 m -50.3 -42.75 53.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.918 HD21 ' HB3' ' A' ' 26' ' ' ALA . 47.8 mt -80.21 -34.54 37.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.515 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.1 m-80 -49.8 -32.68 14.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -98.21 -30.56 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.75 -6.7 57.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -98.15 -40.52 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' ' CD2' ' A' ' 76' ' ' LEU . . . -56.42 -52.74 63.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -46.52 -53.5 11.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -47.69 -60.04 2.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 1.119 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -53.37 -59.28 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.519 ' HA ' HD12 ' A' ' 30' ' ' LEU . 31.3 m -47.43 -61.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -42.15 -34.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.597 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 91.7 t90 -76.3 -60.86 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 38' ' ' TYR . 15.0 mt -39.39 -35.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -87.57 -38.16 16.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.32 7.14 23.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.458 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 7.4 t -109.91 -34.99 6.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.9 -10.87 1.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -109.81 78.71 1.28 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.903 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -4.67 14.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 38' ' ' TYR . 10.5 pm0 -91.62 -35.68 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.695 ' OH ' HG13 ' A' ' 54' ' ' VAL . 4.6 m-85 -64.36 -27.05 68.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -89.57 -15.07 33.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -88.33 -37.61 15.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.618 ' HA ' HD12 ' A' ' 46' ' ' LEU . 13.8 mt -56.69 -49.85 73.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 76' ' ' LEU . 19.8 t80 -64.1 -32.63 74.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.83 -34.12 77.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -87.82 11.87 14.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 62.82 44.16 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 41' ' ' LEU . 79.0 mt -94.45 -30.55 14.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.51 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.3 m-85 -62.93 160.88 34.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.643 0.735 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.74 159.57 89.42 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.749 -1.771 . . . . 0.0 112.325 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.51 HG12 ' CE2' ' A' ' 47' ' ' PHE . 13.0 pt -109.65 173.71 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 54' ' ' VAL . 34.5 m-20 -82.54 99.56 9.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.634 HD11 ' ND2' ' A' ' 77' ' ' ASN . 50.3 mm -66.73 -62.49 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' ILE . 77.5 p -38.0 -37.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.85 -49.17 26.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.868 HG11 HD11 ' A' ' 73' ' ' LEU . 26.1 t -44.64 -35.23 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -81.93 -49.22 10.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -52.5 -42.41 64.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -69.67 -46.69 65.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.411 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 4.1 m-70 -99.07 40.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -25.2 65.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 32.5 p90 -55.0 -43.78 73.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 37.6 mt -43.13 163.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -85.94 176.5 8.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.17 -41.85 98.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.92 -45.68 77.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.411 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -60.67 -42.47 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 mm -70.3 -54.11 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.24 -41.16 60.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.39 -59.95 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.4 tp -44.57 -46.69 10.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 44.6 t -61.35 -44.34 97.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 27.8 mtp180 -57.97 -15.93 10.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.597 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 17.2 mmt180 -93.53 -47.28 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.868 HD11 HG11 ' A' ' 54' ' ' VAL . 68.5 mt -61.58 -62.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -40.6 -42.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.459 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 97.0 m -51.78 -50.16 61.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.119 HD21 ' HB3' ' A' ' 26' ' ' ALA . 35.4 mt -69.71 -36.06 75.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.634 ' ND2' HD11 ' A' ' 51' ' ' ILE . 9.4 m-80 -51.52 -60.22 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.427 ' HA ' HG12 ' A' ' 81' ' ' VAL . 59.0 pttt -65.09 -23.74 67.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.71 -22.9 45.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.16 -29.06 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 78' ' ' LYS . 11.5 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.32 -49.29 34.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -47.54 -49.54 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -55.44 -45.99 76.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.904 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -60.76 -54.55 43.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.466 ' HA ' HD12 ' A' ' 30' ' ' LEU . 89.7 m -52.79 -58.58 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -44.63 -41.42 6.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 87.6 t90 -70.23 -62.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 38' ' ' TYR . 9.1 mt -41.51 -36.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -88.16 -28.18 21.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -95.03 7.41 46.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' TRP . 9.1 t -108.87 -37.6 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.87 -11.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.461 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' LEU . 41.5 m-85 -112.8 80.46 3.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.661 0.744 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.73 16.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -88.6 -35.34 16.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.663 ' OH ' HG22 ' A' ' 54' ' ' VAL . 6.9 m-85 -65.54 -27.73 68.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.85 -21.99 27.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -81.02 -34.84 32.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.576 HD23 HD12 ' A' ' 46' ' ' LEU . 34.9 mt -54.5 -48.93 71.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -65.78 -35.53 80.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -60.16 -30.21 69.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -94.83 4.28 54.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 64.92 46.27 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.576 HD12 HD23 ' A' ' 41' ' ' LEU . 32.4 mt -93.02 -27.38 17.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.512 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 15.0 m-85 -60.8 159.58 25.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.2 Cg_endo -69.73 160.57 87.71 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 -1.806 . . . . 0.0 112.355 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.404 HG12 ' CE2' ' A' ' 47' ' ' PHE . 21.9 pt -113.71 170.97 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.767 ' CG ' HD23 ' A' ' 53' ' ' LEU . 4.8 t0 -83.33 95.0 8.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 29.7 mm -55.95 -40.33 62.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.9 p -55.1 -34.53 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.767 HD23 ' CG ' ' A' ' 50' ' ' ASP . 4.3 mm? -68.17 -43.39 78.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.663 HG22 ' OH ' ' A' ' 38' ' ' TYR . 72.4 t -48.57 -41.15 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 59' ' ' ASP . 4.2 mtpm? -78.98 -41.29 29.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -60.14 -30.95 69.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.54 -42.56 12.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 3.2 m-70 -104.19 34.03 3.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.799 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -51.32 -32.87 26.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 48.7 p90 -51.23 -45.14 61.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.5 mt -41.66 163.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.01 163.73 14.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -51.9 -44.99 64.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -65.26 -43.82 90.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.08 99.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 mm -68.08 -35.75 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.1 -41.39 90.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.36 72.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.455 ' O ' ' CD2' ' A' ' 73' ' ' LEU . 42.6 tp -64.67 -52.74 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.1 t -56.02 -33.11 64.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.452 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 54.0 mtp85 -60.11 -18.37 46.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.584 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 8.8 mpt_? -95.89 -39.35 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.1 mm? -67.32 -52.46 40.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.452 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 0.9 OUTLIER -52.42 -42.86 64.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.416 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 45.3 m -55.73 -31.44 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.904 HD21 ' HB3' ' A' ' 26' ' ' ALA . 66.4 mt -85.54 -32.19 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -57.87 -30.28 65.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -98.18 -23.23 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.49 -9.28 56.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.89 -36.31 9.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.9 75.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -51.64 -49.13 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -55.7 -47.87 76.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.615 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -62.88 -60.52 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.476 ' HA ' HD12 ' A' ' 30' ' ' LEU . 73.8 m -52.94 -58.67 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -45.3 -40.86 8.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.572 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 91.9 t90 -70.7 -57.86 4.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 38' ' ' TYR . 11.5 mt -45.46 -39.39 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.46 ' O ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.92 -17.25 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -109.49 14.5 23.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.7 t -117.15 -40.25 3.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.166 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.425 ' N ' HG23 ' A' ' 33' ' ' THR . . . 154.97 -16.98 0.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -112.58 83.32 5.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.647 0.736 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.23 33.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 2.231 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -70.19 -30.63 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.62 ' HB3' HD22 ' A' ' 30' ' ' LEU . 9.8 m-85 -75.14 -18.85 60.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.79 -21.2 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -87.96 -40.42 13.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.747 HD23 HD12 ' A' ' 46' ' ' LEU . 18.1 mt -43.14 -46.53 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -69.22 -37.33 78.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -60.85 -28.79 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -92.53 1.63 57.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 65.02 48.99 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.747 HD12 HD23 ' A' ' 41' ' ' LEU . 75.3 mt -99.03 -30.23 12.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.525 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.1 m-85 -57.0 160.62 5.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.75 159.8 89.03 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.349 -0.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.525 HG12 ' CE2' ' A' ' 47' ' ' PHE . 18.6 pt -105.2 174.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.585 ' O ' HG23 ' A' ' 54' ' ' VAL . 9.6 m-20 -81.56 89.72 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.558 HD11 ' ND2' ' A' ' 77' ' ' ASN . 43.6 mm -59.17 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -41.21 -36.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.633 ' O ' HD13 ' A' ' 53' ' ' LEU . 1.3 tm? -71.98 -44.6 63.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.69 HG11 HD11 ' A' ' 73' ' ' LEU . 69.8 t -46.58 -29.48 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -79.87 -41.45 26.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -61.58 -42.21 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.04 -45.04 75.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.457 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 2.9 m-70 -105.09 50.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -31.64 71.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 14.5 p90 -55.7 -39.76 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.598 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 19.8 mt -46.74 164.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -92.06 164.96 13.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -52.05 -48.5 64.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -58.22 -52.18 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.9 -45.96 82.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.406 ' HA ' HD13 ' A' ' 66' ' ' ILE . 15.4 mm -60.85 -55.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.83 -43.24 72.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -51.23 65.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 tp -57.02 -45.24 83.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 34.9 t -62.06 -47.23 85.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -43.65 -26.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.572 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 1.2 mpt_? -88.9 -46.95 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.69 HD11 HG11 ' A' ' 54' ' ' VAL . 30.0 mt -56.48 -58.13 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -46.45 -45.4 18.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 50.9 m -53.02 -41.87 65.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 26' ' ' ALA . 93.1 mt -79.54 -27.71 41.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.558 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.0 m-80 -59.08 -31.97 69.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -98.01 -31.45 12.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.74 -6.49 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.83 -45.73 4.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.846 0.355 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.71 ' HB2' ' HB3' ' A' ' 79' ' ' CYS . . . -53.49 -68.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ALA . 1.1 tmtp? -38.32 -57.71 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -43.3 -52.47 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.574 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -58.82 -53.51 57.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.6 m -47.08 -51.27 18.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -47.57 -37.83 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.612 ' CZ3' HG21 ' A' ' 33' ' ' THR . 84.3 t90 -65.18 -53.6 42.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.887 HD13 ' HB3' ' A' ' 38' ' ' TYR . 76.8 mt -46.1 -38.99 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -86.73 -26.6 24.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.64 5.87 50.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.612 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 13.0 t -111.0 -36.63 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.39 -10.82 1.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' LEU . 44.3 m-85 -118.13 81.11 16.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 110.862 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -26.85 27.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -64.74 -32.66 74.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.915 ' OH ' HG22 ' A' ' 54' ' ' VAL . 2.7 m-85 -66.09 -30.17 70.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -84.67 -26.96 27.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -73.76 -33.17 64.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 38' ' ' TYR . 19.6 mt -58.7 -50.5 73.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -63.74 -32.22 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -95.84 11.31 34.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 60.4 48.37 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 41' ' ' LEU . 60.6 mt -97.18 -29.72 13.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.536 ' CE2' HG12 ' A' ' 49' ' ' ILE . 11.9 m-85 -60.48 160.07 20.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.696 0.76 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.9 Cg_endo -69.77 163.49 81.73 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.348 -0.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.536 HG12 ' CE2' ' A' ' 47' ' ' PHE . 8.9 pt -112.84 177.16 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.48 90.12 8.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.807 HD11 ' ND2' ' A' ' 77' ' ' ASN . 28.6 mm -52.3 -50.86 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.3 p -48.7 -43.02 36.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -49.04 78.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.915 HG22 ' OH ' ' A' ' 38' ' ' TYR . 47.0 t -41.91 -43.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -72.86 -38.06 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -61.72 -39.1 90.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -79.04 -44.53 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -101.12 44.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -26.06 66.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.826 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -59.11 -40.6 85.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.0 mt -51.56 163.45 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.33 162.61 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -51.77 -49.61 62.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -46.31 89.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.54 88.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.21 -61.05 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -38.2 -49.8 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.24 -47.96 83.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.467 ' CD1' HD21 ' A' ' 73' ' ' LEU . 35.5 tp -58.74 -51.07 71.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 35.4 t -54.67 -48.8 71.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -41.36 -29.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.552 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.1 OUTLIER -87.15 -50.1 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.1 mm? -53.08 -59.62 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -47.72 -45.39 28.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.6 m -51.21 -32.36 23.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 26' ' ' ALA . 82.3 mt -90.32 -28.08 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.807 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.7 m-80 -52.58 -34.89 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -98.21 -46.23 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.71 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 1.6 m -53.23 -16.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.76 -53.32 4.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.461 HG23 ' H ' ' A' ' 81' ' ' VAL . 2.1 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.452 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -71.46 -56.21 6.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -44.01 -57.42 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -40.6 -48.34 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.39 -38.26 74.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 67.8 m -60.25 -44.67 95.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -57.35 -32.36 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 33' ' ' THR . 91.7 t90 -75.81 -61.74 1.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 38' ' ' TYR . 91.5 mt -35.78 -39.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -88.06 -33.09 18.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -90.13 11.19 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.55 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 13.8 t -114.31 -37.97 4.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.92 -18.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.427 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.625 ' CE2' HD13 ' A' ' 69' ' ' LEU . 9.1 m-85 -107.63 78.79 0.74 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.718 . . . . 0.0 110.886 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -12.53 33.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.3 pm0 -82.08 -29.52 31.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.743 ' OH ' HG22 ' A' ' 54' ' ' VAL . 5.4 m-85 -73.14 -25.84 60.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -82.72 -18.17 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -87.73 -34.9 18.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 38' ' ' TYR . 18.2 mt -56.96 -44.22 82.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 80' ' ' ALA . 42.4 t80 -72.14 -29.71 64.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -66.46 -31.13 71.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.38 0.08 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 70.9 40.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.85 -32.11 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.492 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 7.8 m-85 -53.91 160.89 1.96 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.618 0.723 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.75 168.63 66.76 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.324 0.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.449 HG12 ' CE2' ' A' ' 47' ' ' PHE . 20.5 pt -119.21 168.69 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -77.59 85.72 3.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.715 HD11 ' ND2' ' A' ' 77' ' ' ASN . 37.7 mm -46.7 -56.22 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -47.71 -39.29 17.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' HA ' HD22 ' A' ' 53' ' ' LEU . 1.1 tm? -62.65 -47.0 85.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.864 HG21 HD13 ' A' ' 73' ' ' LEU . 51.0 t -48.24 -28.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.54 -47.33 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -57.7 -42.48 83.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -64.68 -51.41 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.475 ' O ' HD11 ' A' ' 66' ' ' ILE . 3.6 m-70 -101.6 52.61 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.38 -21.31 62.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 37.2 p90 -64.07 -36.76 85.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 14.5 mt -49.69 166.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -90.16 155.03 19.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 23.3 ttm180 -42.03 -61.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -54.8 -38.8 67.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.0 95.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.475 HD11 ' O ' ' A' ' 58' ' ' HIS . 20.5 mm -61.57 -53.81 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 63' ' ' ARG . 3.8 mp0 -50.66 -54.47 22.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.36 -43.24 67.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.625 HD13 ' CE2' ' A' ' 35' ' ' PHE . 44.8 tp -61.38 -36.7 81.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' ARG . 46.2 t -72.47 -36.32 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.426 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 27.2 mmm180 -42.95 -24.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -95.78 -55.19 3.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.864 HD13 HG21 ' A' ' 54' ' ' VAL . 29.6 mt -50.17 -53.59 26.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.432 ' CG ' ' N ' ' A' ' 75' ' ' THR . 5.6 p30 -46.03 -49.19 16.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.432 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 76.5 m -58.06 -60.91 3.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ALA . 35.9 mt -49.48 -46.75 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.715 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.3 m-80 -46.9 -51.82 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -83.29 -11.24 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -92.44 -16.88 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . . . -93.06 -35.1 13.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.066 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.502 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -58.73 -55.41 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -47.09 -48.34 22.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -54.39 -50.18 68.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.36 -27.26 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.2 m -70.08 -52.09 26.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -48.85 -33.16 10.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.575 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 79.7 t90 -73.25 -53.38 11.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 38' ' ' TYR . 72.2 mt -40.98 -38.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -91.52 -36.31 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.85 -2.42 36.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.6 t -100.5 -35.3 9.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.72 -10.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.64 81.58 1.47 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -4.5 14.13 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -91.25 -35.68 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.841 ' OH ' HG13 ' A' ' 54' ' ' VAL . 12.9 m-85 -70.53 -24.15 62.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.13 -14.48 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -91.84 -36.08 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -54.74 -45.7 74.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.502 ' CZ ' ' HB1' ' A' ' 23' ' ' ALA . 29.1 t80 -68.45 -31.18 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.61 -22.54 66.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -99.98 5.4 45.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 62.32 50.5 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.2 mt -98.6 -29.47 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.549 ' CE2' HG12 ' A' ' 49' ' ' ILE . 11.3 m-85 -57.85 160.11 8.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.835 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.4 Cg_endo -69.75 156.87 92.55 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.31 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.549 HG12 ' CE2' ' A' ' 47' ' ' PHE . 23.3 pt -108.77 171.56 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.25 96.27 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.731 HD11 ' ND2' ' A' ' 77' ' ' ASN . 34.6 mm -59.16 -44.74 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.0 p -59.4 -32.17 69.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.829 HD13 ' HD3' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -73.95 -38.72 64.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.841 HG13 ' OH ' ' A' ' 38' ' ' TYR . 45.2 t -58.2 -35.72 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -79.39 -48.98 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.829 ' HD3' HD13 ' A' ' 53' ' ' LEU . 7.6 ptm180 -60.44 -36.09 77.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.6 -37.97 55.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -106.4 33.57 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -32.45 58.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -53.04 -37.15 61.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.8 mt -49.43 165.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -85.22 163.87 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -55.63 -48.75 74.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -43.44 98.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.43 -53.79 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.8 mm -60.05 -55.41 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -47.5 -56.94 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.46 77.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -45.99 -44.66 15.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.3 t -63.32 -46.21 87.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -43.98 -23.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.575 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 6.0 mmt180 -93.33 -41.63 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.772 HD11 HG11 ' A' ' 54' ' ' VAL . 56.3 mt -59.95 -54.74 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -50.47 -41.16 52.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.8 m -56.35 -36.41 68.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 23' ' ' ALA . 77.8 mt -85.95 -29.04 23.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.731 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.8 m-80 -53.13 -34.36 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 79' ' ' CYS . 4.4 pttm -98.25 -43.68 6.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m -62.15 -8.1 5.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -97.83 -26.83 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 77' ' ' ASN . 1.9 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.83 0.347 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.66 -41.89 74.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -47.51 54.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -57.86 -45.56 86.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.14 -57.84 9.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.681 ' HA ' HD12 ' A' ' 30' ' ' LEU . 35.5 m -51.61 -51.11 58.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -55.84 -40.97 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' THR . 77.6 t90 -69.86 -40.04 76.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.796 HD22 ' CB ' ' A' ' 38' ' ' TYR . 32.6 mt -54.62 -40.11 68.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -89.57 -16.14 31.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.33 -10.87 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.9 t -91.92 -33.19 14.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.84 -5.58 1.76 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.492 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 49.5 m-85 -113.12 83.54 6.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.674 0.749 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -10.51 28.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -83.93 -34.21 24.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.796 ' CB ' HD22 ' A' ' 30' ' ' LEU . 20.4 m-85 -73.64 -23.4 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -85.14 -14.24 47.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -94.66 -40.72 9.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 mt -46.46 -49.02 18.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.578 ' CD2' HD22 ' A' ' 76' ' ' LEU . 58.3 t80 -67.19 -38.31 85.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -57.9 -34.44 69.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -85.26 -10.19 56.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 73.87 47.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.7 mt -99.28 -17.4 18.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.5 m-85 -61.85 160.34 29.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.9 Cg_endo -69.76 158.69 90.74 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.313 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.535 HG12 ' CE2' ' A' ' 47' ' ' PHE . 9.8 pt -107.07 175.36 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.422 ' HB3' HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -83.79 94.59 8.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.642 HD11 ' ND2' ' A' ' 77' ' ' ASN . 42.6 mm -59.35 -38.97 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.6 p -59.58 -40.46 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.422 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -68.16 -30.48 69.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -67.84 -35.45 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HD2' HG22 ' A' ' 51' ' ' ILE . 6.8 mtpp -84.6 -35.73 22.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.411 ' NH1' ' CD1' ' A' ' 53' ' ' LEU . 23.6 ttt-85 -72.26 -21.73 61.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.04 -44.02 12.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 3.7 m-70 -100.75 30.28 4.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.4 -39.61 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -48.11 -41.21 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.2 mt -46.4 160.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -90.68 155.19 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -44.05 -50.0 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -59.58 -48.83 80.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.28 80.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.3 mm -65.82 -59.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.188 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -40.86 -47.05 2.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.65 -40.1 76.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.76 -52.56 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 36.8 t -65.3 -35.12 80.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.435 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 6.0 mmp_? -48.4 -20.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.416 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 10.4 mpt_? -94.91 -42.44 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.4 mm? -64.43 -58.83 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.7 p30 -45.02 -42.72 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.8 m -59.73 -40.57 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.578 HD22 ' CD2' ' A' ' 42' ' ' TYR . 73.8 mt -74.28 -36.4 63.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.642 ' ND2' HD11 ' A' ' 51' ' ' ILE . 4.1 m-80 -52.43 -52.69 52.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.408 ' HA ' HG12 ' A' ' 81' ' ' VAL . 45.4 pttt -73.02 -9.59 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.78 -25.58 18.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.28 -29.08 16.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 77' ' ' ASN . 13.5 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.93 -42.41 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -54.92 -50.72 68.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.12 -45.92 72.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.594 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -63.98 -58.28 7.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m -52.95 -56.81 13.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -47.23 -35.98 8.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 89.1 t90 -67.46 -62.45 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.562 HD11 HD11 ' A' ' 76' ' ' LEU . 21.7 mt -38.83 -35.36 0.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 ttt-85 -86.59 -37.92 17.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -88.6 11.17 18.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' TRP . 6.4 t -113.62 -38.29 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.47 -19.65 1.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' LEU . 26.6 m-85 -107.53 79.0 0.74 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.88 37.76 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 38' ' ' TYR . 14.4 pm0 -76.63 -32.53 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.734 ' OH ' HG13 ' A' ' 54' ' ' VAL . 3.1 m-85 -66.72 -31.36 71.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -80.32 -22.35 41.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -79.79 -39.79 30.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.4 mt -50.3 -45.52 54.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.447 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 4.1 t80 -68.19 -37.22 80.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -59.27 -27.81 66.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -93.46 7.35 44.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 63.32 43.91 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.5 mt -94.06 -30.36 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 9.3 m-85 -59.24 160.56 11.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.73 163.45 81.72 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.33 -0.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.9 pt -110.65 173.52 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.96 88.41 6.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.469 HD11 ' ND2' ' A' ' 77' ' ' ASN . 36.9 mm -52.46 -63.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.7 p -42.38 -36.97 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.818 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.16 -53.37 25.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.805 HG11 HD11 ' A' ' 73' ' ' LEU . 55.9 t -38.5 -44.44 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -64.77 -45.23 87.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -62.82 -42.5 99.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -65.01 -49.35 70.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 5.7 m-70 -98.32 43.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -56.37 -35.13 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 25.7 p90 -50.67 -36.64 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.441 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 17.8 mt -50.75 164.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -95.59 163.05 13.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -47.6 -50.09 25.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -58.57 -46.03 87.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.417 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -61.39 -43.63 98.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.2 mm -64.71 -58.82 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.47 -52.19 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.86 -53.94 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.8 tp -44.57 -48.69 10.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ARG . 43.7 t -56.48 -48.38 77.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 70' ' ' CYS . 18.7 mmt180 -36.75 -42.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.555 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -77.94 -42.95 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.805 HD11 HG11 ' A' ' 54' ' ' VAL . 60.2 mt -58.48 -57.22 13.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.2 p30 -51.06 -47.1 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.416 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 87.0 m -48.88 -43.62 39.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 26' ' ' ALA . 35.1 mt -75.32 -34.54 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.469 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.9 m-80 -53.72 -33.95 57.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -98.15 -31.07 12.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.03 -12.6 60.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -94.95 -42.35 8.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -70.0 -58.39 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.49 -46.01 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -47.14 -55.72 7.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.595 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -59.84 -57.37 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.608 ' HA ' HD12 ' A' ' 30' ' ' LEU . 64.3 m -44.83 -57.99 3.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -43.68 -34.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.592 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 87.5 t90 -76.08 -57.37 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.638 HD22 ' CB ' ' A' ' 38' ' ' TYR . 13.5 mt -43.5 -38.76 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -87.12 -23.81 24.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -102.07 13.7 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' TRP . 6.7 t -115.24 -40.58 3.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 33' ' ' THR . . . 151.11 -11.69 0.79 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -113.62 84.47 8.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.92 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -22.02 32.87 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -68.98 -31.76 70.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.783 ' OH ' HG13 ' A' ' 54' ' ' VAL . 13.8 m-85 -75.59 -25.37 56.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -86.42 -21.1 27.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -86.83 -42.21 13.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 38' ' ' TYR . 11.0 mt -49.07 -38.9 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.459 ' CZ ' ' HB1' ' A' ' 23' ' ' ALA . 22.6 t80 -78.04 -36.46 48.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.7 -25.09 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.9 0.11 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 66.39 48.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.3 mt -100.0 -30.77 11.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.509 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 9.6 m-85 -54.01 160.45 2.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.78 160.51 87.95 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.356 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.597 HD11 HD22 ' A' ' 73' ' ' LEU . 29.2 pt -112.0 176.61 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.421 ' O ' HG23 ' A' ' 54' ' ' VAL . 1.5 m-20 -83.21 100.09 10.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.777 HD11 ' ND2' ' A' ' 77' ' ' ASN . 27.4 mm -63.65 -64.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.2 p -39.43 -39.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' VAL . 4.0 mm? -65.34 -51.79 58.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.89 HG11 HD11 ' A' ' 73' ' ' LEU . 75.2 t -37.75 -33.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ASP . 26.8 mttp -78.16 -51.6 9.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -55.7 -43.46 76.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -71.31 -44.57 64.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -105.09 40.85 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -65.74 -11.44 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -67.27 -39.89 86.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.2 mt -49.92 167.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.15 166.45 13.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -53.53 -46.94 70.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -60.12 -51.67 68.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.65 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.8 mm -60.99 -51.56 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -47.64 -54.78 10.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -66.1 -54.53 24.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -39.39 -46.24 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.68 -39.57 93.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 17.3 mmt180 -52.11 -26.51 11.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.592 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 11.4 mmt180 -87.57 -46.24 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.89 HD11 HG11 ' A' ' 54' ' ' VAL . 32.4 mt -55.84 -52.24 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.6 p30 -54.54 -42.17 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.489 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 96.2 m -54.14 -36.24 63.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 26' ' ' ALA . 28.7 mt -86.77 -30.42 21.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.777 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.9 m-80 -51.26 -32.85 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.475 ' HA ' HG12 ' A' ' 81' ' ' VAL . 47.0 pttt -98.31 -49.31 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 1.6 m -53.55 -15.35 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.26 -65.98 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' A' ' 78' ' ' LYS . 2.4 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB1' ' CE1' ' A' ' 42' ' ' TYR . . . -53.45 -45.44 69.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -44.31 -50.37 9.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -54.64 -55.95 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.78 -60.17 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.561 ' HA ' HD12 ' A' ' 30' ' ' LEU . 39.4 m -49.0 -49.06 42.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -52.76 -30.45 32.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.496 ' O ' ' N ' ' A' ' 32' ' ' ALA . 89.3 t90 -80.04 -59.12 2.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 27' ' ' CYS . 8.5 mt -42.63 -35.6 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -85.59 -25.29 26.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -104.83 13.63 30.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . 9.7 t -112.89 -40.62 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.423 ' N ' HG23 ' A' ' 33' ' ' THR . . . 152.27 -12.77 0.7 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.528 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 66.5 m-85 -109.77 85.72 4.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.892 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -15.4 37.18 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -80.38 -40.24 26.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.529 ' CB ' HD22 ' A' ' 30' ' ' LEU . 23.3 m-85 -68.82 -18.91 64.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -88.33 -19.05 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -93.14 -44.74 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 38' ' ' TYR . 52.9 mt -42.97 -50.59 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.666 ' CD2' HD22 ' A' ' 76' ' ' LEU . 41.6 t80 -63.92 -42.0 97.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.69 -21.4 60.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.23 5.3 48.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 61.02 47.38 7.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.53 -26.99 13.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.2 m-85 -56.0 160.86 4.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.7 Cg_endo -69.8 160.82 87.5 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.351 -0.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.671 HD11 HD13 ' A' ' 73' ' ' LEU . 14.3 pt -108.25 173.43 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.684 ' O ' HG23 ' A' ' 54' ' ' VAL . 31.8 p-10 -72.89 85.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.414 HD12 ' HB2' ' A' ' 73' ' ' LEU . 47.6 mm -59.72 -65.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.4 m -45.94 -32.14 2.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.7 ' O ' HD13 ' A' ' 53' ' ' LEU . 2.4 tm? -73.9 -39.71 63.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 50' ' ' ASP . 72.7 t -54.37 -25.41 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -81.79 -35.77 29.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.52 -39.15 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.47 -53.0 58.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -91.57 39.49 1.01 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -13.45 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -76.28 -31.84 58.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.72 164.37 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -88.68 173.34 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.417 ' HD3' ' C ' ' A' ' 63' ' ' ARG . 3.3 tmt_? -58.78 -44.8 90.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -64.25 -51.27 64.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.17 -53.37 43.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.3 mm -58.99 -42.94 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.04 -48.35 82.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.02 86.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 35' ' ' PHE . 27.6 tp -63.98 -50.83 67.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 13.8 t -65.5 -31.61 72.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -51.71 -21.2 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -96.42 -51.71 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.671 HD13 HD11 ' A' ' 49' ' ' ILE . 7.5 mt -52.96 -51.28 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' CG ' ' N ' ' A' ' 75' ' ' THR . 2.6 p30 -51.73 -46.14 63.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 35.8 m -59.7 -28.51 67.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.666 HD22 ' CD2' ' A' ' 42' ' ' TYR . 49.7 mt -82.47 -32.97 28.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.973 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -52.83 -61.51 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 79' ' ' CYS . 5.9 pttp -57.8 -34.0 69.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.5 t -70.92 -24.47 62.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.499 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -93.46 -21.83 19.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.973 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 79' ' ' CYS . . . -66.25 -65.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 23' ' ' ALA . 3.6 tppp? -36.37 -53.83 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -40.88 -54.37 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.972 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -58.4 -52.52 65.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.901 ' HA ' HD12 ' A' ' 30' ' ' LEU . 92.8 m -53.07 -60.8 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 28' ' ' ASP . 35.9 t0 -43.75 -39.66 3.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.575 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 87.6 t90 -69.12 -50.96 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.901 HD12 ' HA ' ' A' ' 27' ' ' CYS . 12.4 mt -46.5 -37.91 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -86.22 -31.55 21.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.72 0.86 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TRP . 11.8 t -106.21 -35.94 7.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.83 -10.42 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.542 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -113.4 82.01 5.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -16.62 37.49 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -76.95 -37.49 55.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.763 ' CB ' HD22 ' A' ' 30' ' ' LEU . 8.1 m-85 -66.12 -18.93 65.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.435 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -91.55 -22.24 20.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -86.93 -42.68 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.708 ' HA ' HD12 ' A' ' 46' ' ' LEU . 21.6 mt -49.3 -46.94 47.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -67.29 -38.27 84.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.28 -18.53 62.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -95.8 12.93 28.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 58.87 47.79 12.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 41' ' ' LEU . 95.0 mt -105.4 -27.17 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.537 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.3 m-85 -65.78 160.76 59.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.615 0.722 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.81 159.76 89.29 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.293 0.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.626 HD11 HD22 ' A' ' 73' ' ' LEU . 34.7 pt -108.18 177.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.34 93.95 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.818 HD11 ' ND2' ' A' ' 77' ' ' ASN . 50.9 mm -55.38 -64.21 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p -39.58 -38.09 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HG3' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -66.99 -48.37 68.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.729 HG21 HD13 ' A' ' 73' ' ' LEU . 33.1 t -42.66 -37.98 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -77.72 -34.22 52.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 53' ' ' LEU . 25.5 ttt85 -66.31 -37.39 85.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 53' ' ' LEU . 6.8 mt-10 -81.93 -39.39 23.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -105.27 32.58 4.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.37 -34.69 66.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -53.84 -40.66 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB2' HD11 ' A' ' 66' ' ' ILE . 23.7 mt -40.99 161.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.97 165.87 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -59.6 -41.8 91.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -48.55 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.25 82.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 61' ' ' LEU . 9.7 mm -62.83 -55.78 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -46.19 -55.93 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.46 47.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.5 tp -40.2 -41.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.946 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 40.6 t -68.61 -44.76 73.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.418 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 28.9 mmm180 -48.06 -25.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.575 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 11.5 mmm180 -89.17 -44.74 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.729 HD13 HG21 ' A' ' 54' ' ' VAL . 83.5 mt -58.34 -52.43 65.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.9 OUTLIER -51.86 -43.35 63.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.502 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.0 m -54.12 -33.81 58.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.972 HD21 ' HB3' ' A' ' 26' ' ' ALA . 51.3 mt -90.17 -26.5 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.818 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.0 m-80 -56.38 -34.16 66.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -98.11 -37.78 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 1.6 m -64.09 -6.54 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.67 -31.14 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.8 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.853 0.358 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 79' ' ' CYS . . . -54.81 -51.43 65.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -43.0 -61.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -38.54 -50.26 1.56 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.521 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -58.36 -50.77 72.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.84 -56.6 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -50.62 -33.44 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.525 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 90.2 t90 -73.53 -55.51 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 38' ' ' TYR . 27.9 mt -45.26 -38.06 5.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -87.32 -27.32 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.81 7.2 46.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.1 t -112.17 -41.25 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.417 ' N ' ' CG2' ' A' ' 33' ' ' THR . . . 154.89 -17.03 0.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' LEU . 49.0 m-85 -110.07 81.23 2.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.721 . . . . 0.0 110.919 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -20.12 35.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.728 2.285 . . . . 0.0 112.341 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -72.55 -35.96 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.696 ' HB3' HD13 ' A' ' 30' ' ' LEU . 3.6 m-85 -63.84 -28.14 69.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -84.13 -22.54 31.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.0 -42.29 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 mt -49.57 -45.25 47.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -69.33 -37.12 77.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.46 -27.28 67.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -94.17 6.12 49.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 63.21 46.28 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.9 mt -95.7 -32.12 12.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.523 ' CE2' HG12 ' A' ' 49' ' ' ILE . 8.1 m-85 -55.88 160.86 3.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.77 163.75 81.05 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.342 0.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.523 HG12 ' CE2' ' A' ' 47' ' ' PHE . 18.2 pt -110.65 172.42 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.75 92.11 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.7 HD11 ' ND2' ' A' ' 77' ' ' ASN . 42.7 mm -57.95 -62.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.4 p -43.13 -37.1 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.511 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -68.29 -44.52 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.623 HG13 ' OH ' ' A' ' 38' ' ' TYR . 61.8 t -51.17 -28.54 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -82.03 -45.17 15.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -58.21 -43.13 87.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -69.59 -48.9 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.414 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 7.5 m-70 -97.09 36.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -58.55 -28.0 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.414 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 51.7 p90 -56.24 -41.95 76.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.8 mt -48.78 160.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.67 145.84 25.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -39.35 -50.37 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.3 -46.86 82.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.19 88.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.4 mm -67.26 -60.17 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -38.43 -43.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.811 ' HB1' ' NH2' ' A' ' 72' ' ' ARG . . . -65.37 -51.57 59.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.33 -49.3 76.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 52.4 t -58.6 -42.37 87.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.406 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 37.1 mtt180 -49.92 -30.16 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.811 ' NH2' ' HB1' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -88.27 -42.6 12.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.539 HD11 HG11 ' A' ' 54' ' ' VAL . 28.3 mt -58.79 -55.56 33.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.9 p30 -50.7 -40.94 55.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.462 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 49.5 m -53.55 -35.65 60.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 26' ' ' ALA . 48.0 mt -88.31 -24.84 23.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.7 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.8 m-80 -57.63 -33.69 68.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.778 ' HA ' HG12 ' A' ' 81' ' ' VAL . 16.3 pttm -98.21 -37.81 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 1.6 m -63.7 -6.22 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.25 -10.67 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.778 HG12 ' HA ' ' A' ' 78' ' ' LYS . 9.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.6 -60.7 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -37.1 -49.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -52.2 -48.24 65.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.822 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -64.01 -60.5 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.783 ' HA ' HD12 ' A' ' 30' ' ' LEU . 68.3 m -48.24 -56.64 7.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -45.69 -36.77 5.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.6 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 84.3 t90 -74.49 -58.05 3.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 27' ' ' CYS . 6.8 mt -42.82 -36.6 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.95 -23.21 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -104.34 13.63 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' TRP . 7.5 t -113.78 -40.44 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 33' ' ' THR . . . 153.53 -13.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE1' ' NE2' ' A' ' 58' ' ' HIS . 81.5 m-85 -114.11 82.55 7.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -16.51 37.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -75.67 -31.76 59.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.792 ' OH ' HG22 ' A' ' 54' ' ' VAL . 10.0 m-85 -73.37 -19.59 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.13 -18.46 27.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -90.85 -40.36 11.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 38' ' ' TYR . 10.6 mt -47.5 -44.22 25.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.5 -36.56 68.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.52 -20.49 65.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -100.02 5.97 45.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 62.23 45.28 6.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.65 -30.51 13.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.49 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 7.9 m-85 -54.21 160.88 2.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.835 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.76 171.05 55.48 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.338 0.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.754 HD11 HD22 ' A' ' 73' ' ' LEU . 17.6 pt -122.26 169.07 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -80.35 100.53 8.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.604 HD11 ' ND2' ' A' ' 77' ' ' ASN . 49.5 mm -63.46 -48.39 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 p -53.5 -19.46 3.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.554 HD21 HH21 ' A' ' 56' ' ' ARG . 0.3 OUTLIER -84.66 -49.98 8.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.87 HG11 HD11 ' A' ' 73' ' ' LEU . 70.0 t -46.45 -39.88 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -73.16 -27.72 61.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.554 HH21 HD21 ' A' ' 53' ' ' LEU . 1.3 tmm_? -72.04 -40.11 68.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -68.75 -49.19 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.514 ' NE2' ' CE1' ' A' ' 35' ' ' PHE . 6.7 m-70 -99.23 32.61 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.48 -22.99 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.508 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 54.5 p90 -67.67 -37.65 82.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.4 mt -42.27 164.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.23 153.84 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -48.76 -45.76 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.32 -46.97 86.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.12 -51.11 71.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 67' ' ' GLU . 17.7 mm -59.85 -60.44 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' ILE . 9.8 mt-10 -35.74 -47.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -69.33 -58.71 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.668 HD21 ' CG1' ' A' ' 54' ' ' VAL . 11.3 tp -38.03 -46.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 53.0 t -62.85 -40.04 96.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 68' ' ' ALA . 2.8 mmp_? -54.44 -20.56 7.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.6 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 17.3 mmt180 -96.27 -36.95 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.87 HD11 HG11 ' A' ' 54' ' ' VAL . 86.8 mt -68.34 -58.25 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -47.31 -44.53 23.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.5 m -50.8 -48.11 59.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.822 HD21 ' HB3' ' A' ' 26' ' ' ALA . 29.6 mt -72.81 -37.3 67.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.604 ' ND2' HD11 ' A' ' 51' ' ' ILE . 4.2 m-80 -54.51 -31.94 57.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -98.15 -23.1 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.02 -8.13 58.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -97.67 -38.68 9.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.882 0.372 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.63 68.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -44.5 -45.13 9.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.39 -55.04 36.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.838 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -54.07 -58.16 8.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.3 m -50.07 -56.14 12.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 18.1 t70 -48.92 -32.09 8.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' THR . 89.1 t90 -78.18 -62.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.455 HD22 ' HB3' ' A' ' 38' ' ' TYR . 11.7 mt -41.08 -36.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.54 -29.49 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -98.67 14.45 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.8 t -114.51 -38.71 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.14 -14.97 1.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -110.51 82.59 2.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -21.13 33.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 pm0 -70.82 -28.36 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.687 ' OH ' HG22 ' A' ' 54' ' ' VAL . 9.7 m-85 -77.92 -18.74 55.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.56 -19.45 22.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -88.7 -39.93 13.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 38' ' ' TYR . 11.6 mt -49.76 -43.69 48.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -72.56 -34.37 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -60.4 -30.93 69.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.33 5.48 49.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 63.33 48.22 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 41' ' ' LEU . 86.9 mt -96.27 -29.98 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.519 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.3 m-85 -54.61 160.34 2.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.81 160.49 88.07 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.344 0.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.519 HG12 ' CE2' ' A' ' 47' ' ' PHE . 37.3 pt -108.99 168.72 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.44 90.62 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.635 HD11 ' ND2' ' A' ' 77' ' ' ASN . 50.9 mm -54.47 -64.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -40.2 -31.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.48 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -67.15 -49.1 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.943 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.855 HG21 ' CD1' ' A' ' 73' ' ' LEU . 54.7 t -43.96 -34.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -76.5 -42.85 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -59.26 -43.02 92.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -76.28 -44.41 37.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -100.65 36.2 1.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -41.79 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -45.28 -43.21 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.5 mt -44.07 160.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -91.69 158.68 16.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -48.17 -44.95 33.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -65.59 -45.24 83.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.34 89.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 67' ' ' GLU . 20.6 mm -65.4 -62.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' ILE . 9.8 mt-10 -35.79 -45.37 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.94 67.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.437 HD21 ' CG1' ' A' ' 54' ' ' VAL . 27.5 tp -57.48 -42.31 82.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.5 t -66.56 -41.8 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.459 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 43.9 mtt180 -45.9 -26.42 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -90.59 -55.27 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.855 ' CD1' HG21 ' A' ' 54' ' ' VAL . 13.5 mt -50.09 -55.77 13.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.9 p30 -49.07 -49.0 43.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.451 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 53.7 m -52.39 -35.43 51.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.838 HD21 ' HB3' ' A' ' 26' ' ' ALA . 42.2 mt -81.1 -42.42 21.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.635 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.8 m-80 -50.19 -27.54 6.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.58 -41.18 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.2 t -72.09 -5.24 33.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.512 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -98.0 -24.75 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.831 0.348 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.71 -61.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -38.81 -43.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -53.76 -48.55 69.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.11 -58.67 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.831 ' HA ' HD12 ' A' ' 30' ' ' LEU . 65.1 m -52.83 -60.91 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 5.4 t70 -41.58 -40.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.502 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 90.4 t90 -72.77 -48.22 40.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 27' ' ' CYS . 16.2 mt -49.69 -41.49 43.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -87.77 -25.71 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 28' ' ' ASP . . . -92.88 8.16 40.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' TRP . 4.8 t -115.08 -37.44 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.86 -13.9 0.66 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -109.15 82.49 1.95 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -18.58 36.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -75.51 -40.72 56.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.694 ' HB3' HD22 ' A' ' 30' ' ' LEU . 6.4 m-85 -61.6 -28.15 69.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.06 -13.57 46.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -91.2 -44.09 9.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.1 mt -46.76 -41.25 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -73.33 -37.26 66.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.52 -24.1 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -97.41 -0.38 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 68.18 50.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.42 -31.57 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.503 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 12.9 m-85 -55.03 159.88 3.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.671 0.748 . . . . 0.0 110.83 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.78 162.84 83.34 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.327 0.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.084 HD11 HD12 ' A' ' 73' ' ' LEU . 21.8 pt -114.4 167.16 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -80.2 91.01 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.828 HD11 ' ND2' ' A' ' 77' ' ' ASN . 42.3 mm -52.66 -41.45 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.1 p -46.0 -47.59 16.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' LYS . 3.2 mt -63.18 -49.17 75.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.673 HG13 ' OH ' ' A' ' 38' ' ' TYR . 76.6 t -37.97 -26.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.147 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' LEU . 37.7 mttt -87.68 -54.59 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.48 ' CD ' HD22 ' A' ' 53' ' ' LEU . 6.0 ptm180 -55.86 -44.0 77.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 56' ' ' ARG . 63.8 mm-40 -67.53 -42.24 83.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -104.41 44.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.72 -27.98 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -60.48 -17.85 47.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.64 164.08 26.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.03 142.79 27.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 63' ' ' ARG . 7.2 tmm_? -38.21 -48.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -59.38 -43.93 92.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.26 -51.02 69.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.0 mm -58.78 -47.7 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -49.62 -47.31 49.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -70.54 -60.18 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' ALA . 9.8 tp -37.83 -50.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 37.7 t -52.87 -42.94 65.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.432 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 8.0 mmt85 -45.28 -23.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.502 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -90.35 -48.78 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.084 HD12 HD11 ' A' ' 49' ' ' ILE . 2.0 mm? -56.55 -60.69 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.4 p30 -45.4 -44.09 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.6 m -52.18 -37.49 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt -85.26 -30.38 23.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.828 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.1 m-80 -51.91 -35.07 44.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.15 -37.18 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.54 -7.67 27.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.36 -36.72 10.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.6 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.89 -61.0 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -37.05 -51.32 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -49.8 -53.84 22.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.59 -59.43 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.524 ' HA ' HD12 ' A' ' 30' ' ' LEU . 87.1 m -46.23 -56.67 5.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -50.17 -39.75 44.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.591 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 91.7 t90 -69.01 -53.94 17.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 27' ' ' CYS . 31.6 mt -44.69 -41.65 6.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.47 -18.9 28.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.25 8.93 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.1 t -114.02 -36.57 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.32 -15.75 0.66 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.548 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.404 ' CE2' HD13 ' A' ' 69' ' ' LEU . 66.2 m-85 -108.91 81.76 1.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -7.51 21.22 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -87.91 -41.54 13.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.811 ' OH ' HG22 ' A' ' 54' ' ' VAL . 8.3 m-85 -60.68 -25.06 66.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -84.39 -19.73 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -88.26 -46.05 9.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.0 mt -46.04 -40.91 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -77.0 -26.61 54.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.16 -28.93 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -89.25 -2.11 58.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 71.9 46.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.42 -30.39 12.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.523 ' CE2' HG12 ' A' ' 49' ' ' ILE . 8.5 m-85 -54.28 160.71 2.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.2 Cg_endo -69.72 162.61 83.66 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.407 -0.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.523 HG12 ' CE2' ' A' ' 47' ' ' PHE . 22.3 pt -114.31 170.01 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.94 100.62 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.577 HD11 ' ND2' ' A' ' 77' ' ' ASN . 51.0 mm -65.58 -51.31 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.2 p -50.07 -31.91 14.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.72 -50.61 19.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.811 HG22 ' OH ' ' A' ' 38' ' ' TYR . 23.3 t -40.87 -41.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -72.02 -45.94 59.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -36.68 62.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.17 -46.9 39.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -102.54 41.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -17.6 22.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -68.0 -41.54 82.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.8 mt -43.05 165.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -90.46 166.89 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.3 ttt-85 -55.94 -49.14 74.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -63.57 -42.19 98.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.72 -48.24 81.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 66' ' ' ILE . 12.2 mm -59.03 -51.83 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.15 -46.34 82.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.21 76.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.404 HD13 ' CE2' ' A' ' 35' ' ' PHE . 3.6 tp -74.24 -48.39 29.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.4 t -56.87 -34.07 67.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.462 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 31.6 mtp180 -56.74 -17.84 10.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.591 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 2.8 mpt_? -96.14 -47.75 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.499 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.2 mm? -59.24 -55.65 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.0 OUTLIER -49.25 -46.35 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.488 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.6 m -52.28 -36.13 51.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mt -85.52 -32.04 22.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.577 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.0 m-80 -51.29 -32.14 23.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -98.07 -39.89 8.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.27 -6.65 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.55 -34.37 10.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.886 0.375 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.576 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -55.3 -40.99 71.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -60.75 -41.52 95.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.05 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.979 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -59.41 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.595 ' SG ' ' CD1' ' A' ' 42' ' ' TYR . 24.9 m -43.09 -59.95 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -43.6 -48.42 7.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' THR . 91.1 t90 -58.22 -61.5 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.0 mt -40.2 -40.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 5.4 tpt180 -87.76 -25.02 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -98.36 11.77 37.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' TRP . 6.1 t -116.34 -31.36 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.73 -10.64 1.44 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.433 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -109.0 80.92 1.4 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.76 19.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -93.22 -39.95 10.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.67 ' OH ' HG22 ' A' ' 54' ' ' VAL . 9.7 m-85 -67.78 -20.14 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -85.6 -18.58 32.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -93.11 -43.61 8.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.734 ' HA ' HD12 ' A' ' 46' ' ' LEU . 90.4 mt -44.55 -48.35 10.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.595 ' CD1' ' SG ' ' A' ' 27' ' ' CYS . 31.4 t80 -65.19 -34.29 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -74.36 -19.05 60.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.21 5.76 50.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.822 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 62.39 46.97 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 41' ' ' LEU . 20.7 mt -103.45 -24.27 13.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.51 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 9.1 m-85 -62.77 158.78 49.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.657 0.742 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.3 Cg_endo -69.79 157.08 92.51 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.35 0.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.432 HD11 HD12 ' A' ' 73' ' ' LEU . 28.6 pt -105.23 174.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.98 94.33 9.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.529 HD11 ' ND2' ' A' ' 77' ' ' ASN . 35.6 mm -62.46 -40.58 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 p -59.31 -26.99 65.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -80.79 -50.04 10.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.67 HG22 ' OH ' ' A' ' 38' ' ' TYR . 56.1 t -41.63 -31.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -83.7 -43.14 15.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -60.68 -42.91 98.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -71.61 -48.24 49.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 2.9 m-70 -98.8 44.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -20.03 65.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -62.74 -32.03 73.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.568 HD22 ' HB1' ' A' ' 65' ' ' ALA . 13.6 mt -54.24 168.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -94.2 158.47 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -48.57 -46.97 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.45 -44.96 89.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -57.59 -49.24 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.7 mm -67.22 -58.62 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -41.02 -43.8 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 69' ' ' LEU . . . -73.52 -61.06 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.602 HD11 HD21 ' A' ' 73' ' ' LEU . 9.6 tp -36.55 -50.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 t -52.88 -48.81 66.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.494 ' O ' ' ND2' ' A' ' 74' ' ' ASN . 21.7 mmm180 -37.72 -38.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -76.29 -55.19 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.602 HD21 HD11 ' A' ' 69' ' ' LEU . 2.4 mm? -49.37 -64.19 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 71' ' ' ARG . 2.1 p30 -46.05 -48.96 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 15.7 m -49.53 -31.68 10.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.979 HD21 ' HB3' ' A' ' 26' ' ' ALA . 3.1 mt -88.43 -39.74 14.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.529 ' ND2' HD11 ' A' ' 51' ' ' ILE . 12.1 m-80 -52.63 -49.35 65.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -72.17 -15.53 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -92.86 -19.79 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.13 -27.44 17.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.881 0.372 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.02 83.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -53.62 -42.8 68.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.91 -48.37 73.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -61.33 -55.86 26.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.9 m -52.52 -49.68 64.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -49.42 -35.34 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.595 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 89.4 t90 -78.68 -62.34 1.72 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.683 HD22 ' CB ' ' A' ' 38' ' ' TYR . 12.1 mt -40.53 -34.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -86.53 -30.54 21.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -100.69 15.44 28.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' TRP . 11.5 t -113.15 -39.88 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.411 ' N ' HG23 ' A' ' 33' ' ' THR . . . 148.2 -13.62 1.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -111.98 83.11 4.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.52 37.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.24 . . . . 0.0 112.357 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -74.53 -25.29 59.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.683 ' CB ' HD22 ' A' ' 30' ' ' LEU . 13.2 m-85 -83.67 -15.85 47.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.79 -14.59 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -95.15 -40.54 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.689 HD23 HD12 ' A' ' 46' ' ' LEU . 10.2 mt -45.16 -50.73 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -64.45 -37.15 86.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.56 -30.17 69.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -93.21 8.39 40.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 60.52 46.54 9.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.689 HD12 HD23 ' A' ' 41' ' ' LEU . 24.3 mt -94.65 -31.37 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.6 m-85 -58.76 160.46 10.53 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.78 160.75 87.56 Favored 'Cis proline' 0 C--N 1.342 0.22 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.349 -0.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.561 HG12 ' CE2' ' A' ' 47' ' ' PHE . 10.1 pt -111.54 175.81 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -82.97 98.94 9.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.787 HD11 ' ND2' ' A' ' 77' ' ' ASN . 35.4 mm -63.16 -57.73 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.2 p -46.32 -36.45 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.449 HD13 ' HD2' ' A' ' 56' ' ' ARG . 3.0 mm? -67.22 -48.8 66.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 1.04 HG11 HD11 ' A' ' 73' ' ' LEU . 57.0 t -54.06 -24.88 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -83.85 -43.84 14.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.449 ' HD2' HD13 ' A' ' 53' ' ' LEU . 11.6 ptp180 -71.15 -27.98 63.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.31 -40.35 62.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.507 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . 22.6 m-70 -105.36 38.09 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -21.09 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 58' ' ' HIS . 54.5 p90 -66.91 -42.32 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.48 HD22 ' HB1' ' A' ' 65' ' ' ALA . 19.4 mt -46.04 166.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -91.59 156.82 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -43.54 -54.8 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.21 -48.06 77.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.48 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -56.35 -50.71 70.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.471 HD11 ' HB2' ' A' ' 61' ' ' LEU . 22.6 mm -61.81 -55.06 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -44.08 -52.31 7.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.84 -57.04 8.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 tp -39.74 -38.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 39.1 t -73.22 -43.6 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -38.5 -35.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.595 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 10.1 mpt_? -84.42 -47.15 10.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.04 HD11 HG11 ' A' ' 54' ' ' VAL . 51.8 mt -53.18 -55.72 22.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.493 ' CG ' ' N ' ' A' ' 75' ' ' THR . 1.6 p30 -54.43 -52.04 63.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.493 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 61.9 m -47.78 -31.5 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.7 HD21 ' HB3' ' A' ' 26' ' ' ALA . 89.0 mt -88.1 -31.65 19.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.787 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.7 m-80 -53.4 -33.18 52.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.657 ' HA ' HG12 ' A' ' 81' ' ' VAL . 5.8 pttp -98.22 -37.18 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m -66.74 -6.52 16.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -108.57 -47.47 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.657 HG12 ' HA ' ' A' ' 78' ' ' LYS . 7.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -143.46 158.45 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -81.35 -46.4 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.56 89.75 0.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -123.83 40.27 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.1 p -39.48 -48.0 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.34 -159.18 14.18 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.4 mtt -126.69 162.6 25.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.731 0.3 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.3 m -139.15 162.67 34.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -106.64 164.64 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.47 111.76 16.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -120.58 146.29 42.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.62 0.724 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 86.54 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.386 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -174.79 118.32 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.1 p 36.79 39.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.4 ttm -74.0 -50.65 18.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' GLN . 15.7 mm -76.49 -52.71 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 17' ' ' ILE . 2.2 tt -34.3 -56.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.5 p -50.64 -41.34 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' ILE . 6.5 tt0 -49.76 -44.42 48.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.552 ' H ' HD12 ' A' ' 21' ' ' ILE . 5.2 mp -65.86 -60.09 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -46.67 -46.88 20.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.2 -62.58 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -37.3 -47.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -56.48 -52.97 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.59 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -58.23 -55.25 37.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.486 ' HA ' HD12 ' A' ' 30' ' ' LEU . 76.1 m -53.47 -58.79 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -43.19 -39.81 3.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.625 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 76.3 t90 -70.95 -51.99 22.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 27' ' ' CYS . 77.1 mt -44.22 -40.68 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -90.12 -28.48 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.21 15.13 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.561 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 7.1 t -118.36 -37.11 3.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.32 -12.22 0.91 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -110.1 81.08 2.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.8 14.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.322 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -90.44 -32.65 16.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.619 ' OH ' HG13 ' A' ' 54' ' ' VAL . 11.1 m-85 -73.2 -24.59 60.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -84.97 -19.02 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -87.09 -34.35 19.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 HD12 ' A' ' 46' ' ' LEU . 67.2 mt -54.43 -58.95 5.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.418 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 6.3 t80 -56.13 -38.89 71.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -59.42 -28.14 66.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -95.28 13.89 24.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 56.34 43.14 26.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.448 HD12 HD23 ' A' ' 41' ' ' LEU . 33.3 mt -92.43 -30.3 15.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.551 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.7 m-85 -58.64 160.76 9.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.7 Cg_endo -69.79 157.56 92.03 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.344 -0.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.551 HG12 ' CE2' ' A' ' 47' ' ' PHE . 26.3 pt -107.65 168.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -76.6 91.47 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.519 HD12 ' HB2' ' A' ' 73' ' ' LEU . 46.7 mm -59.01 -51.9 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.5 p -53.82 -25.92 21.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.707 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.7 tm? -75.28 -51.93 12.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.619 HG13 ' OH ' ' A' ' 38' ' ' TYR . 78.6 t -49.77 -24.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' ASP . 36.0 mttt -86.3 -55.65 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.45 ' HD3' ' CD2' ' A' ' 53' ' ' LEU . 8.3 ptm180 -53.55 -41.63 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HG3' HD11 ' A' ' 53' ' ' LEU . 6.9 mm-40 -73.61 -34.44 65.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -105.23 28.92 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -53.22 -24.52 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.49 ' CE2' ' HG ' ' A' ' 61' ' ' LEU . 46.5 p90 -57.74 -42.06 83.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.654 ' HB2' HD11 ' A' ' 66' ' ' ILE . 47.5 mt -52.69 166.0 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -89.69 166.71 13.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -53.42 -48.27 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -61.44 -53.73 52.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.34 70.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.654 HD11 ' HB2' ' A' ' 61' ' ' LEU . 11.9 mm -62.65 -57.99 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.65 -48.65 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.692 ' HB1' ' NH2' ' A' ' 72' ' ' ARG . . . -59.15 -47.01 86.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.47 -43.54 98.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.28 -41.29 90.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 6.0 mtp-105 -47.46 -22.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.692 ' NH2' ' HB1' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -93.53 -49.65 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.54 HD11 HG11 ' A' ' 54' ' ' VAL . 33.4 mt -53.42 -52.59 58.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.526 ' CG ' ' N ' ' A' ' 75' ' ' THR . 2.0 p30 -54.21 -54.01 45.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.526 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 50.5 m -46.07 -28.57 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.59 HD21 ' HB3' ' A' ' 26' ' ' ALA . 90.1 mt -91.06 -36.72 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.434 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.5 m-80 -49.24 -28.34 4.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HA ' HG12 ' A' ' 81' ' ' VAL . 27.1 pttt -98.2 -35.54 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -72.34 -6.13 41.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.15 -8.72 15.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 78' ' ' LYS . 4.2 p -126.51 -11.97 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.544 ' HE1' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -41.66 -29.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.544 ' HB2' ' HE1' ' A' ' 82' ' ' MET . 8.5 tmtm? -46.54 -51.84 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.65 -54.32 39.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -142.44 137.72 30.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.2 p -45.27 -63.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.85 82.6 1.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 93.58 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.676 2.251 . . . . 0.0 112.394 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.9 m -88.82 82.63 6.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 t 65.11 42.28 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -133.22 154.66 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 t -140.55 129.7 23.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.92 -132.46 2.95 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -140.17 169.38 17.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 110.876 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -110.6 170.27 8.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.74 58.29 0.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.12 100.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.698 0.285 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 94.3 m -114.74 126.74 55.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -91.68 46.89 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -159.66 144.22 15.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -143.14 156.73 61.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.871 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.74 161.16 47.01 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.664 2.243 . . . . 0.0 112.375 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -74.71 -30.99 61.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 p -145.19 108.71 4.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.8 ptp -96.88 -22.1 17.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.01 -38.84 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 18' ' ' LEU . 5.6 tt -61.31 -62.26 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.8 p -47.15 -41.28 17.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -57.91 -47.76 81.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.8 mt -58.59 -59.98 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -49.0 -51.22 31.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.31 -57.96 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.29 -53.19 6.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -47.45 -51.78 19.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.918 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -59.98 -49.61 76.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.3 m -53.53 -56.54 16.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 17.2 t0 -48.37 -30.27 4.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.496 ' CZ3' HG21 ' A' ' 33' ' ' THR . 88.1 t90 -78.13 -60.01 2.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' A' ' 38' ' ' TYR . 29.5 mt -41.27 -37.91 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -87.29 -35.62 18.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 28' ' ' ASP . . . -89.41 14.55 11.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.496 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 11.6 t -116.26 -32.43 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.63 -14.09 2.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -107.52 80.72 0.96 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -3.95 13.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.385 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -92.4 -38.9 11.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.665 ' HA ' HD12 ' A' ' 41' ' ' LEU . 8.2 m-85 -63.86 -26.01 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.44 -14.63 45.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -92.14 -41.57 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 38' ' ' TYR . 13.4 mt -47.83 -44.71 29.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -71.12 -34.16 70.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -63.03 -22.03 66.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -99.3 1.53 44.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 69.25 45.49 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.3 mt -95.94 -28.93 14.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.543 ' CE2' HG12 ' A' ' 49' ' ' ILE . 8.1 m-85 -59.57 160.88 12.35 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.73 158.77 90.55 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.353 -0.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.604 HD11 HD22 ' A' ' 73' ' ' LEU . 38.8 pt -104.78 175.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 54' ' ' VAL . 53.1 m-20 -85.92 96.55 9.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.515 HD11 ' ND2' ' A' ' 77' ' ' ASN . 51.3 mm -63.25 -63.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 p -42.19 -26.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -79.84 -48.71 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.689 HG11 HD11 ' A' ' 73' ' ' LEU . 91.8 t -48.85 -27.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -89.21 -46.94 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttt85 -55.82 -39.53 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -77.99 -42.91 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -96.32 32.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -28.12 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -54.65 -44.81 73.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.5 mt -45.2 161.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.946 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.54 161.22 22.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -52.21 -48.15 65.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -61.61 -46.72 88.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.07 84.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.2 mm -67.0 -64.97 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -42.4 -36.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.28 -55.97 8.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.8 tp -56.49 -45.08 81.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 41.3 t -58.85 -40.87 85.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 89.3 mtt180 -59.17 -19.09 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.481 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 22.8 mmt-85 -92.95 -45.2 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.689 HD11 HG11 ' A' ' 54' ' ' VAL . 31.5 mt -61.31 -56.5 19.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -47.36 -43.58 23.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.47 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.0 m -50.3 -42.75 53.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.918 HD21 ' HB3' ' A' ' 26' ' ' ALA . 47.8 mt -80.21 -34.54 37.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.515 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.1 m-80 -49.8 -32.68 14.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -98.21 -30.56 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.423 ' C ' ' HG3' ' A' ' 82' ' ' MET . 1.6 m -79.75 -6.7 57.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -98.15 -40.52 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.8 p -86.47 -15.65 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.423 ' HG3' ' C ' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -50.96 -17.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -56.41 -54.75 41.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 86' ' ' SER . 5.3 mp -76.49 -74.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -49.76 92.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' LEU . 3.2 t -87.58 134.57 33.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -126.93 83.39 0.34 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -42.56 3.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 m -48.57 141.96 6.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 m -45.95 162.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 p -169.38 106.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.1 p -151.0 127.12 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.64 179.15 48.36 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -125.07 158.42 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -135.61 151.43 50.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.25 149.48 18.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 82.8 mtp -52.81 141.76 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 95.6 m -123.85 135.61 53.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -55.99 111.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -160.83 132.13 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.88 80.96 5.57 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 167.36 24.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.643 2.229 . . . . 0.0 112.368 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.22 -60.12 2.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.9 p -94.47 133.23 38.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.1 ttp -134.96 -53.58 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.488 ' O ' HD12 ' A' ' 21' ' ' ILE . 2.7 mm -74.78 -48.66 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.488 ' HA ' HD13 ' A' ' 21' ' ' ILE . 9.7 tt -37.13 -47.75 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' GLN . 43.4 p -54.21 -58.58 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' THR . 0.5 OUTLIER -35.15 -47.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.74 ' H ' HD12 ' A' ' 21' ' ' ILE . 4.7 mp -60.15 -62.29 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -42.74 -60.99 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' ' CD2' ' A' ' 76' ' ' LEU . . . -56.42 -52.74 63.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -46.52 -53.5 11.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -47.69 -60.04 2.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 1.119 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -53.37 -59.28 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.519 ' HA ' HD12 ' A' ' 30' ' ' LEU . 31.3 m -47.43 -61.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -42.15 -34.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.597 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 91.7 t90 -76.3 -60.86 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 38' ' ' TYR . 15.0 mt -39.39 -35.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -87.57 -38.16 16.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.32 7.14 23.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.458 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 7.4 t -109.91 -34.99 6.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.9 -10.87 1.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -109.81 78.71 1.28 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.903 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -4.67 14.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 38' ' ' TYR . 10.5 pm0 -91.62 -35.68 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.695 ' OH ' HG13 ' A' ' 54' ' ' VAL . 4.6 m-85 -64.36 -27.05 68.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -89.57 -15.07 33.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -88.33 -37.61 15.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.618 ' HA ' HD12 ' A' ' 46' ' ' LEU . 13.8 mt -56.69 -49.85 73.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 76' ' ' LEU . 19.8 t80 -64.1 -32.63 74.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.83 -34.12 77.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -87.82 11.87 14.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 62.82 44.16 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 41' ' ' LEU . 79.0 mt -94.45 -30.55 14.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.51 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.3 m-85 -62.93 160.88 34.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.643 0.735 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.74 159.57 89.42 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.749 -1.771 . . . . 0.0 112.325 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.51 HG12 ' CE2' ' A' ' 47' ' ' PHE . 13.0 pt -109.65 173.71 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 54' ' ' VAL . 34.5 m-20 -82.54 99.56 9.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.634 HD11 ' ND2' ' A' ' 77' ' ' ASN . 50.3 mm -66.73 -62.49 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' ILE . 77.5 p -38.0 -37.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.85 -49.17 26.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.868 HG11 HD11 ' A' ' 73' ' ' LEU . 26.1 t -44.64 -35.23 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -81.93 -49.22 10.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -52.5 -42.41 64.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -69.67 -46.69 65.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.411 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 4.1 m-70 -99.07 40.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -25.2 65.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 32.5 p90 -55.0 -43.78 73.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 37.6 mt -43.13 163.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -85.94 176.5 8.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.17 -41.85 98.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.92 -45.68 77.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.411 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -60.67 -42.47 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 mm -70.3 -54.11 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.24 -41.16 60.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.39 -59.95 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.4 tp -44.57 -46.69 10.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 44.6 t -61.35 -44.34 97.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 27.8 mtp180 -57.97 -15.93 10.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.597 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 17.2 mmt180 -93.53 -47.28 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.868 HD11 HG11 ' A' ' 54' ' ' VAL . 68.5 mt -61.58 -62.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -40.6 -42.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.459 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 97.0 m -51.78 -50.16 61.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.119 HD21 ' HB3' ' A' ' 26' ' ' ALA . 35.4 mt -69.71 -36.06 75.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.634 ' ND2' HD11 ' A' ' 51' ' ' ILE . 9.4 m-80 -51.52 -60.22 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.427 ' HA ' HG12 ' A' ' 81' ' ' VAL . 59.0 pttt -65.09 -23.74 67.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.71 -22.9 45.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.16 -29.06 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 83' ' ' LYS . 11.5 p -96.92 -24.44 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -34.17 -33.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 81' ' ' VAL . 5.4 tmtt? -42.63 -54.4 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 84' ' ' LEU . 3.8 mm? -57.78 -56.5 21.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -170.18 107.18 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.1 p -68.86 -48.66 62.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.72 -171.97 29.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 157.6 59.87 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -63.16 112.16 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.7 p -60.6 -36.01 77.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 m -153.6 130.9 11.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 110.834 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -85.13 114.7 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.0 161.16 11.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -108.17 152.07 25.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -53.05 163.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.27 92.85 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ttp -91.38 133.42 35.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.759 0.314 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.7 t -134.86 108.89 8.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -116.66 63.29 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -116.53 138.95 51.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -117.72 78.62 12.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.55 0.691 . . . . 0.0 110.914 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 167.82 23.43 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.312 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' THR . 27.6 m-20 -97.86 159.01 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 14' ' ' ASP . 70.9 p 34.03 40.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.771 ' HG3' HD12 ' A' ' 17' ' ' ILE . 11.5 ptp -50.48 -34.5 25.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.771 HD12 ' HG3' ' A' ' 16' ' ' MET . 2.8 mp -64.17 -42.36 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.458 HD23 ' C ' ' A' ' 18' ' ' LEU . 7.4 tt -70.66 -53.06 17.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 20' ' ' GLN . 57.8 m -53.54 -57.77 9.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 19.0 tt0 -35.25 -44.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.75 -66.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -49.54 -64.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.32 -49.29 34.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 13.3 tppt? -47.54 -49.54 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -55.44 -45.99 76.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.904 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -60.76 -54.55 43.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.466 ' HA ' HD12 ' A' ' 30' ' ' LEU . 89.7 m -52.79 -58.58 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -44.63 -41.42 6.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 87.6 t90 -70.23 -62.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 38' ' ' TYR . 9.1 mt -41.51 -36.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -88.16 -28.18 21.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -95.03 7.41 46.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' TRP . 9.1 t -108.87 -37.6 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.87 -11.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.461 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' LEU . 41.5 m-85 -112.8 80.46 3.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.661 0.744 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.73 16.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -88.6 -35.34 16.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.663 ' OH ' HG22 ' A' ' 54' ' ' VAL . 6.9 m-85 -65.54 -27.73 68.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.85 -21.99 27.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -81.02 -34.84 32.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.576 HD23 HD12 ' A' ' 46' ' ' LEU . 34.9 mt -54.5 -48.93 71.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -65.78 -35.53 80.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -60.16 -30.21 69.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -94.83 4.28 54.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 64.92 46.27 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.576 HD12 HD23 ' A' ' 41' ' ' LEU . 32.4 mt -93.02 -27.38 17.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.512 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 15.0 m-85 -60.8 159.58 25.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.2 Cg_endo -69.73 160.57 87.71 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 -1.806 . . . . 0.0 112.355 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.404 HG12 ' CE2' ' A' ' 47' ' ' PHE . 21.9 pt -113.71 170.97 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.767 ' CG ' HD23 ' A' ' 53' ' ' LEU . 4.8 t0 -83.33 95.0 8.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 29.7 mm -55.95 -40.33 62.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.9 p -55.1 -34.53 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.767 HD23 ' CG ' ' A' ' 50' ' ' ASP . 4.3 mm? -68.17 -43.39 78.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.663 HG22 ' OH ' ' A' ' 38' ' ' TYR . 72.4 t -48.57 -41.15 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 59' ' ' ASP . 4.2 mtpm? -78.98 -41.29 29.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -60.14 -30.95 69.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.54 -42.56 12.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 3.2 m-70 -104.19 34.03 3.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.799 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -51.32 -32.87 26.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 48.7 p90 -51.23 -45.14 61.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.5 mt -41.66 163.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.01 163.73 14.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -51.9 -44.99 64.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -65.26 -43.82 90.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.08 99.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 mm -68.08 -35.75 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.1 -41.39 90.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.36 72.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.455 ' O ' ' CD2' ' A' ' 73' ' ' LEU . 42.6 tp -64.67 -52.74 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.1 t -56.02 -33.11 64.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.452 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 54.0 mtp85 -60.11 -18.37 46.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.584 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 8.8 mpt_? -95.89 -39.35 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.1 mm? -67.32 -52.46 40.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.452 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 0.9 OUTLIER -52.42 -42.86 64.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.416 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 45.3 m -55.73 -31.44 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.904 HD21 ' HB3' ' A' ' 26' ' ' ALA . 66.4 mt -85.54 -32.19 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -57.87 -30.28 65.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -98.18 -23.23 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.423 ' SG ' HG23 ' A' ' 19' ' ' THR . 1.6 m -86.49 -9.28 56.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.89 -36.31 9.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.5 p -89.01 -13.16 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -52.18 -16.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' N ' ' SD ' ' A' ' 82' ' ' MET . 28.2 tttt -56.42 -46.62 80.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 84' ' ' LEU . 4.0 mm? -64.74 -61.46 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -166.53 108.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.0 p -85.68 135.87 33.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.88 83.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 100.32 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 t -56.49 -56.25 23.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.1 t -45.22 116.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 p -149.12 132.64 16.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.9 m -138.24 159.56 41.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.36 160.48 28.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -53.03 117.27 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m -76.82 -59.19 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.59 133.38 2.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.489 ' CG ' ' CE2' ' A' ' 45' ' ' PHE . 4.1 mpp? -90.22 172.99 8.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.758 0.313 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.5 p -169.06 -179.91 3.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -101.05 116.17 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.33 137.74 30.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -121.98 83.06 43.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 176.22 7.08 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.235 . . . . 0.0 112.32 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -79.91 117.79 21.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.534 HG22 ' HB2' ' A' ' 18' ' ' LEU . 0.4 OUTLIER 65.83 53.75 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 16' ' ' MET . 1.3 tmt? -58.62 -38.6 78.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.613 ' H ' HD12 ' A' ' 17' ' ' ILE . 4.9 mp -57.16 -35.29 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.75 HD23 ' C ' ' A' ' 18' ' ' LEU . 3.7 tt -53.2 -50.34 64.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.5 p -65.7 -40.7 92.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -52.77 -38.86 61.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 18' ' ' LEU . 18.1 mt -64.95 -54.32 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -53.91 53.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.9 75.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -51.64 -49.13 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -55.7 -47.87 76.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.615 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -62.88 -60.52 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.476 ' HA ' HD12 ' A' ' 30' ' ' LEU . 73.8 m -52.94 -58.67 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -45.3 -40.86 8.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.572 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 91.9 t90 -70.7 -57.86 4.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 38' ' ' TYR . 11.5 mt -45.46 -39.39 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.46 ' O ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.92 -17.25 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -109.49 14.5 23.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.7 t -117.15 -40.25 3.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.166 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.425 ' N ' HG23 ' A' ' 33' ' ' THR . . . 154.97 -16.98 0.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -112.58 83.32 5.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.647 0.736 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.23 33.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 2.231 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -70.19 -30.63 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.62 ' HB3' HD22 ' A' ' 30' ' ' LEU . 9.8 m-85 -75.14 -18.85 60.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.79 -21.2 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -87.96 -40.42 13.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.747 HD23 HD12 ' A' ' 46' ' ' LEU . 18.1 mt -43.14 -46.53 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -69.22 -37.33 78.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -60.85 -28.79 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -92.53 1.63 57.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CE2' ' CG ' ' A' ' 8' ' ' MET . 65.1 m-85 65.02 48.99 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.747 HD12 HD23 ' A' ' 41' ' ' LEU . 75.3 mt -99.03 -30.23 12.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.525 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.1 m-85 -57.0 160.62 5.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.75 159.8 89.03 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.349 -0.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.525 HG12 ' CE2' ' A' ' 47' ' ' PHE . 18.6 pt -105.2 174.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.585 ' O ' HG23 ' A' ' 54' ' ' VAL . 9.6 m-20 -81.56 89.72 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.558 HD11 ' ND2' ' A' ' 77' ' ' ASN . 43.6 mm -59.17 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -41.21 -36.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.633 ' O ' HD13 ' A' ' 53' ' ' LEU . 1.3 tm? -71.98 -44.6 63.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.69 HG11 HD11 ' A' ' 73' ' ' LEU . 69.8 t -46.58 -29.48 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -79.87 -41.45 26.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -61.58 -42.21 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.04 -45.04 75.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.457 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 2.9 m-70 -105.09 50.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -31.64 71.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 14.5 p90 -55.7 -39.76 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.598 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 19.8 mt -46.74 164.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -92.06 164.96 13.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -52.05 -48.5 64.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -58.22 -52.18 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.9 -45.96 82.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.406 ' HA ' HD13 ' A' ' 66' ' ' ILE . 15.4 mm -60.85 -55.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.83 -43.24 72.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -51.23 65.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 tp -57.02 -45.24 83.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 34.9 t -62.06 -47.23 85.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -43.65 -26.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.572 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 1.2 mpt_? -88.9 -46.95 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.69 HD11 HG11 ' A' ' 54' ' ' VAL . 30.0 mt -56.48 -58.13 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -46.45 -45.4 18.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 50.9 m -53.02 -41.87 65.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 26' ' ' ALA . 93.1 mt -79.54 -27.71 41.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.558 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.0 m-80 -59.08 -31.97 69.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -98.01 -31.45 12.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.74 -6.49 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.83 -45.73 4.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.06 -6.5 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.462 ' C ' ' SD ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -63.32 -6.95 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.513 ' HD2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -80.61 -47.14 14.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.513 HD23 ' HD2' ' A' ' 83' ' ' LYS . 4.0 mt -44.08 -36.32 2.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -163.97 128.06 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.7 m -43.04 -66.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.9 149.63 22.0 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -19.57 35.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.5 p -40.82 -57.2 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -44.21 154.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t 58.6 42.23 20.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p -134.85 138.25 44.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.32 126.22 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -89.19 127.49 35.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -108.47 160.36 15.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.79 -144.12 3.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.9 ptp -99.85 149.97 22.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.763 0.316 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.9 m -66.37 -58.84 4.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -73.18 124.77 26.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' C ' ' HG2' ' A' ' 12' ' ' LYS . 3.0 mmmp? -113.92 23.29 13.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 18.8 pttm 41.61 54.51 8.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.534 0.683 . . . . 0.0 110.867 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.76 -11.35 30.65 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -37.49 -45.11 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -91.88 -40.3 11.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -38.76 -50.81 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' GLN . 29.2 mm -60.19 -42.03 88.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' ILE . 5.5 tt -35.63 -64.74 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.893 HG21 ' HG3' ' A' ' 82' ' ' MET . 17.8 p -57.09 -30.08 64.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -64.75 -44.32 90.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.9 mt -64.13 -62.25 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -40.14 -42.34 1.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.71 ' HB2' ' HB3' ' A' ' 79' ' ' CYS . . . -53.49 -68.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ALA . 1.1 tmtp? -38.32 -57.71 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -43.3 -52.47 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.574 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -58.82 -53.51 57.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.6 m -47.08 -51.27 18.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -47.57 -37.83 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.612 ' CZ3' HG21 ' A' ' 33' ' ' THR . 84.3 t90 -65.18 -53.6 42.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.887 HD13 ' HB3' ' A' ' 38' ' ' TYR . 76.8 mt -46.1 -38.99 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -86.73 -26.6 24.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.64 5.87 50.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.612 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 13.0 t -111.0 -36.63 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.39 -10.82 1.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' LEU . 44.3 m-85 -118.13 81.11 16.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 110.862 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -26.85 27.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -64.74 -32.66 74.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.915 ' OH ' HG22 ' A' ' 54' ' ' VAL . 2.7 m-85 -66.09 -30.17 70.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -84.67 -26.96 27.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -73.76 -33.17 64.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 38' ' ' TYR . 19.6 mt -58.7 -50.5 73.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -63.74 -32.22 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -95.84 11.31 34.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 60.4 48.37 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 41' ' ' LEU . 60.6 mt -97.18 -29.72 13.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.536 ' CE2' HG12 ' A' ' 49' ' ' ILE . 11.9 m-85 -60.48 160.07 20.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.696 0.76 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.9 Cg_endo -69.77 163.49 81.73 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.348 -0.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.536 HG12 ' CE2' ' A' ' 47' ' ' PHE . 8.9 pt -112.84 177.16 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.48 90.12 8.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.807 HD11 ' ND2' ' A' ' 77' ' ' ASN . 28.6 mm -52.3 -50.86 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.3 p -48.7 -43.02 36.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -49.04 78.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.915 HG22 ' OH ' ' A' ' 38' ' ' TYR . 47.0 t -41.91 -43.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -72.86 -38.06 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -61.72 -39.1 90.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -79.04 -44.53 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -101.12 44.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -26.06 66.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.826 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -59.11 -40.6 85.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.0 mt -51.56 163.45 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.33 162.61 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -51.77 -49.61 62.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -46.31 89.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.54 88.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.21 -61.05 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -38.2 -49.8 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.24 -47.96 83.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.467 ' CD1' HD21 ' A' ' 73' ' ' LEU . 35.5 tp -58.74 -51.07 71.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 35.4 t -54.67 -48.8 71.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -41.36 -29.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.552 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.1 OUTLIER -87.15 -50.1 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.1 mm? -53.08 -59.62 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -47.72 -45.39 28.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.6 m -51.21 -32.36 23.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 26' ' ' ALA . 82.3 mt -90.32 -28.08 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.807 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.7 m-80 -52.58 -34.89 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -98.21 -46.23 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.71 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 1.6 m -53.23 -16.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.76 -53.32 4.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.461 HG23 ' H ' ' A' ' 81' ' ' VAL . 2.1 t -51.97 -47.34 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.893 ' HG3' HG21 ' A' ' 19' ' ' THR . 17.5 mmt -35.44 -43.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 82' ' ' MET . 1.1 tmtp? -35.1 -46.49 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.444 ' N ' HD22 ' A' ' 84' ' ' LEU . 3.2 mm? -58.31 -69.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.37 127.34 48.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.1 m -80.16 43.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.5 159.73 14.64 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.542 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 153.72 68.66 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.254 . . . . 0.0 112.377 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.3 p -117.82 142.37 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.5 p -61.03 137.01 58.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.539 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -110.33 174.85 5.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -80.79 -53.81 6.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.06 -85.97 0.39 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t -100.71 125.44 47.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -98.06 -51.37 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.5 -117.41 0.8 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.545 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.0 mtt 56.46 44.16 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.722 0.296 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.5 t -90.08 122.75 33.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -174.2 145.12 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -86.6 115.27 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -134.43 144.36 50.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 121.95 8.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.468 ' OD1' ' O ' ' A' ' 87' ' ' GLY . 1.7 t70 -152.06 175.12 12.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.6 p -39.4 106.09 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.3 mtm -104.43 -38.51 6.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 17' ' ' ILE . 5.1 mp -74.96 -58.77 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 18' ' ' LEU . 9.6 tt -38.82 -61.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.645 HG21 ' SD ' ' A' ' 82' ' ' MET . 49.6 m -43.57 -53.47 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' THR . 34.9 tt0 -36.3 -54.25 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.628 ' H ' HD12 ' A' ' 21' ' ' ILE . 4.8 mp -54.05 -63.97 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -35.8 -46.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.452 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -71.46 -56.21 6.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -44.01 -57.42 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -40.6 -48.34 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.39 -38.26 74.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 67.8 m -60.25 -44.67 95.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -57.35 -32.36 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 33' ' ' THR . 91.7 t90 -75.81 -61.74 1.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 38' ' ' TYR . 91.5 mt -35.78 -39.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -88.06 -33.09 18.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -90.13 11.19 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.55 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 13.8 t -114.31 -37.97 4.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.92 -18.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.427 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.625 ' CE2' HD13 ' A' ' 69' ' ' LEU . 9.1 m-85 -107.63 78.79 0.74 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.718 . . . . 0.0 110.886 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -12.53 33.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.3 pm0 -82.08 -29.52 31.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.743 ' OH ' HG22 ' A' ' 54' ' ' VAL . 5.4 m-85 -73.14 -25.84 60.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -82.72 -18.17 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -87.73 -34.9 18.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 38' ' ' TYR . 18.2 mt -56.96 -44.22 82.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 80' ' ' ALA . 42.4 t80 -72.14 -29.71 64.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -66.46 -31.13 71.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.38 0.08 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 70.9 40.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.85 -32.11 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.492 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 7.8 m-85 -53.91 160.89 1.96 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.618 0.723 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.75 168.63 66.76 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.324 0.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.449 HG12 ' CE2' ' A' ' 47' ' ' PHE . 20.5 pt -119.21 168.69 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -77.59 85.72 3.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.715 HD11 ' ND2' ' A' ' 77' ' ' ASN . 37.7 mm -46.7 -56.22 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -47.71 -39.29 17.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' HA ' HD22 ' A' ' 53' ' ' LEU . 1.1 tm? -62.65 -47.0 85.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.864 HG21 HD13 ' A' ' 73' ' ' LEU . 51.0 t -48.24 -28.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.54 -47.33 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -57.7 -42.48 83.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -64.68 -51.41 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.475 ' O ' HD11 ' A' ' 66' ' ' ILE . 3.6 m-70 -101.6 52.61 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.38 -21.31 62.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 37.2 p90 -64.07 -36.76 85.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 14.5 mt -49.69 166.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -90.16 155.03 19.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 23.3 ttm180 -42.03 -61.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -54.8 -38.8 67.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.0 95.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.475 HD11 ' O ' ' A' ' 58' ' ' HIS . 20.5 mm -61.57 -53.81 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 63' ' ' ARG . 3.8 mp0 -50.66 -54.47 22.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.36 -43.24 67.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.625 HD13 ' CE2' ' A' ' 35' ' ' PHE . 44.8 tp -61.38 -36.7 81.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' ARG . 46.2 t -72.47 -36.32 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.426 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 27.2 mmm180 -42.95 -24.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -95.78 -55.19 3.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.864 HD13 HG21 ' A' ' 54' ' ' VAL . 29.6 mt -50.17 -53.59 26.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.432 ' CG ' ' N ' ' A' ' 75' ' ' THR . 5.6 p30 -46.03 -49.19 16.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.432 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 76.5 m -58.06 -60.91 3.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ALA . 35.9 mt -49.48 -46.75 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.715 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.3 m-80 -46.9 -51.82 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -83.29 -11.24 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.467 ' SG ' HG23 ' A' ' 19' ' ' THR . 1.5 t -92.44 -16.88 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . . . -93.06 -35.1 13.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.066 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 83' ' ' LYS . 14.5 p -84.64 -25.81 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.645 ' SD ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -39.89 -25.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -46.72 -47.41 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' GLU . 4.5 mm? -81.42 -62.37 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' LEU . 31.1 mt-10 -36.47 -72.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.2 m -56.01 159.06 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.468 ' O ' ' OD1' ' A' ' 14' ' ' ASP . . . 178.39 -89.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -39.13 6.92 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.319 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 m -86.79 103.51 15.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.8 t -89.17 108.49 19.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -115.92 160.09 20.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -128.97 129.17 45.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.57 53.17 0.69 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.543 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -166.83 107.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -140.17 123.07 16.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.4 66.36 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -108.56 147.89 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.5 p -56.33 154.8 7.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.72 33.14 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.25 133.44 56.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -106.45 86.93 2.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.536 0.684 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 154.73 67.44 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.37 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.42 -60.82 2.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 p -84.35 102.45 12.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.2 ttm -120.42 -46.13 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.98 -29.01 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.525 HD23 ' OE1' ' A' ' 22' ' ' GLU . 3.1 tt -55.31 -52.21 64.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.939 HG21 ' CB ' ' A' ' 82' ' ' MET . 17.8 p -62.28 -27.75 69.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -73.96 -47.12 39.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.51 -61.69 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.525 ' OE1' HD23 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -47.46 -40.84 19.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.502 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -58.73 -55.41 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -47.09 -48.34 22.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -54.39 -50.18 68.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.36 -27.26 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.2 m -70.08 -52.09 26.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -48.85 -33.16 10.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.575 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 79.7 t90 -73.25 -53.38 11.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 38' ' ' TYR . 72.2 mt -40.98 -38.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -91.52 -36.31 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.85 -2.42 36.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.6 t -100.5 -35.3 9.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.72 -10.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.64 81.58 1.47 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -4.5 14.13 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -91.25 -35.68 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.841 ' OH ' HG13 ' A' ' 54' ' ' VAL . 12.9 m-85 -70.53 -24.15 62.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.13 -14.48 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -91.84 -36.08 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -54.74 -45.7 74.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.502 ' CZ ' ' HB1' ' A' ' 23' ' ' ALA . 29.1 t80 -68.45 -31.18 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.61 -22.54 66.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -99.98 5.4 45.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 62.32 50.5 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.2 mt -98.6 -29.47 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.549 ' CE2' HG12 ' A' ' 49' ' ' ILE . 11.3 m-85 -57.85 160.11 8.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.835 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.4 Cg_endo -69.75 156.87 92.55 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.31 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.549 HG12 ' CE2' ' A' ' 47' ' ' PHE . 23.3 pt -108.77 171.56 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.25 96.27 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.731 HD11 ' ND2' ' A' ' 77' ' ' ASN . 34.6 mm -59.16 -44.74 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.0 p -59.4 -32.17 69.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.829 HD13 ' HD3' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -73.95 -38.72 64.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.841 HG13 ' OH ' ' A' ' 38' ' ' TYR . 45.2 t -58.2 -35.72 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -79.39 -48.98 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.829 ' HD3' HD13 ' A' ' 53' ' ' LEU . 7.6 ptm180 -60.44 -36.09 77.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.6 -37.97 55.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -106.4 33.57 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -32.45 58.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -53.04 -37.15 61.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.8 mt -49.43 165.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -85.22 163.87 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -55.63 -48.75 74.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -43.44 98.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.43 -53.79 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.8 mm -60.05 -55.41 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -47.5 -56.94 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.46 77.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -45.99 -44.66 15.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.3 t -63.32 -46.21 87.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -43.98 -23.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.575 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 6.0 mmt180 -93.33 -41.63 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.772 HD11 HG11 ' A' ' 54' ' ' VAL . 56.3 mt -59.95 -54.74 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -50.47 -41.16 52.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.8 m -56.35 -36.41 68.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 23' ' ' ALA . 77.8 mt -85.95 -29.04 23.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.731 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.8 m-80 -53.13 -34.36 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 79' ' ' CYS . 4.4 pttm -98.25 -43.68 6.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m -62.15 -8.1 5.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -97.83 -26.83 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 77' ' ' ASN . 1.9 t -84.01 -44.73 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.939 ' CB ' HG21 ' A' ' 19' ' ' THR . 16.0 mmt -43.41 -43.38 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' MET . 0.8 OUTLIER -34.39 -38.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.1 mp -75.74 -66.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -155.72 120.66 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.4 t -52.17 129.9 28.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.42 -92.58 1.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 179.62 3.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.8 p -167.24 150.5 6.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.2 t -62.05 137.29 58.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.471 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -145.31 170.46 16.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -136.33 155.09 50.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.88 -153.6 8.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -147.91 143.84 27.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.895 0.379 . . . . 0.0 110.841 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -84.92 92.47 8.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.66 56.28 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.5 tpt -108.32 113.67 26.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.5 m -55.05 150.52 10.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.07 152.48 34.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -143.93 149.94 37.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -105.94 88.8 3.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 110.875 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 177.69 5.31 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.258 . . . . 0.0 112.343 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -89.43 -48.71 7.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 64.6 p -103.7 97.64 7.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.7 ttt -115.84 -61.03 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.4 mm -48.04 -38.04 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.17 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tt -73.58 -62.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 p -53.05 -16.61 1.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -83.59 -42.73 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 mt -69.3 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -46.25 -47.29 18.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.66 -41.89 74.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -47.51 54.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -57.86 -45.56 86.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.14 -57.84 9.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.681 ' HA ' HD12 ' A' ' 30' ' ' LEU . 35.5 m -51.61 -51.11 58.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -55.84 -40.97 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' THR . 77.6 t90 -69.86 -40.04 76.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.796 HD22 ' CB ' ' A' ' 38' ' ' TYR . 32.6 mt -54.62 -40.11 68.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -89.57 -16.14 31.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.33 -10.87 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.9 t -91.92 -33.19 14.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.84 -5.58 1.76 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.492 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 49.5 m-85 -113.12 83.54 6.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.674 0.749 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -10.51 28.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -83.93 -34.21 24.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.796 ' CB ' HD22 ' A' ' 30' ' ' LEU . 20.4 m-85 -73.64 -23.4 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -85.14 -14.24 47.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -94.66 -40.72 9.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 mt -46.46 -49.02 18.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.578 ' CD2' HD22 ' A' ' 76' ' ' LEU . 58.3 t80 -67.19 -38.31 85.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -57.9 -34.44 69.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -85.26 -10.19 56.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 73.87 47.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.7 mt -99.28 -17.4 18.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.5 m-85 -61.85 160.34 29.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.9 Cg_endo -69.76 158.69 90.74 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.313 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.535 HG12 ' CE2' ' A' ' 47' ' ' PHE . 9.8 pt -107.07 175.36 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.422 ' HB3' HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -83.79 94.59 8.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.642 HD11 ' ND2' ' A' ' 77' ' ' ASN . 42.6 mm -59.35 -38.97 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.6 p -59.58 -40.46 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.422 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -68.16 -30.48 69.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -67.84 -35.45 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HD2' HG22 ' A' ' 51' ' ' ILE . 6.8 mtpp -84.6 -35.73 22.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.411 ' NH1' ' CD1' ' A' ' 53' ' ' LEU . 23.6 ttt-85 -72.26 -21.73 61.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.04 -44.02 12.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 3.7 m-70 -100.75 30.28 4.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.4 -39.61 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -48.11 -41.21 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.2 mt -46.4 160.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -90.68 155.19 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -44.05 -50.0 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -59.58 -48.83 80.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.28 80.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.3 mm -65.82 -59.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.188 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -40.86 -47.05 2.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.65 -40.1 76.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.76 -52.56 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 36.8 t -65.3 -35.12 80.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.435 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 6.0 mmp_? -48.4 -20.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.416 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 10.4 mpt_? -94.91 -42.44 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.4 mm? -64.43 -58.83 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.7 p30 -45.02 -42.72 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.8 m -59.73 -40.57 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.578 HD22 ' CD2' ' A' ' 42' ' ' TYR . 73.8 mt -74.28 -36.4 63.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.642 ' ND2' HD11 ' A' ' 51' ' ' ILE . 4.1 m-80 -52.43 -52.69 52.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.408 ' HA ' HG12 ' A' ' 81' ' ' VAL . 45.4 pttt -73.02 -9.59 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.78 -25.58 18.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.28 -29.08 16.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 77' ' ' ASN . 13.5 p -90.28 -28.44 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -35.32 -31.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.5 OUTLIER -50.64 -50.68 53.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.431 HD23 ' N ' ' A' ' 84' ' ' LEU . 3.7 mt -54.43 -63.59 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.43 158.47 26.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -68.4 -51.11 47.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.76 146.24 4.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 117.06 4.85 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 t -38.94 -54.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -92.57 106.52 18.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 m -148.05 161.25 41.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.381 . . . . 0.0 110.863 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -117.3 149.16 40.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.64 145.67 15.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -136.31 169.53 17.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -166.76 106.38 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.19 71.43 0.21 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.456 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.6 mmt -98.96 131.08 45.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.747 0.308 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.6 p -66.26 147.34 53.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -66.49 173.95 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' LYS . 6.1 ptpt -154.08 109.21 3.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 45.6 mttm 35.74 54.77 2.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 54.0 Cg_endo -69.7 117.84 5.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.407 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.8 -50.37 36.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.564 HG22 HD13 ' A' ' 18' ' ' LEU . 38.5 p -96.93 40.74 1.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.0 ttp -53.88 -50.26 66.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.829 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.5 mt -94.8 -45.79 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.564 HD13 HG22 ' A' ' 15' ' ' THR . 7.4 tt -36.68 -49.54 0.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -58.14 -55.75 30.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -43.21 -43.87 4.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 18' ' ' LEU . 58.4 mt -57.73 -57.66 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -56.25 -57.08 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.93 -42.41 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -54.92 -50.72 68.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.12 -45.92 72.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.594 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -63.98 -58.28 7.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m -52.95 -56.81 13.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -47.23 -35.98 8.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 89.1 t90 -67.46 -62.45 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.562 HD11 HD11 ' A' ' 76' ' ' LEU . 21.7 mt -38.83 -35.36 0.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 ttt-85 -86.59 -37.92 17.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -88.6 11.17 18.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' TRP . 6.4 t -113.62 -38.29 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.47 -19.65 1.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' LEU . 26.6 m-85 -107.53 79.0 0.74 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.88 37.76 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 38' ' ' TYR . 14.4 pm0 -76.63 -32.53 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.734 ' OH ' HG13 ' A' ' 54' ' ' VAL . 3.1 m-85 -66.72 -31.36 71.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -80.32 -22.35 41.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -79.79 -39.79 30.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.4 mt -50.3 -45.52 54.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.447 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 4.1 t80 -68.19 -37.22 80.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -59.27 -27.81 66.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -93.46 7.35 44.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 63.32 43.91 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.5 mt -94.06 -30.36 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 9.3 m-85 -59.24 160.56 11.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.73 163.45 81.72 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.33 -0.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.9 pt -110.65 173.52 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.96 88.41 6.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.469 HD11 ' ND2' ' A' ' 77' ' ' ASN . 36.9 mm -52.46 -63.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.7 p -42.38 -36.97 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.818 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.16 -53.37 25.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.805 HG11 HD11 ' A' ' 73' ' ' LEU . 55.9 t -38.5 -44.44 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -64.77 -45.23 87.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -62.82 -42.5 99.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -65.01 -49.35 70.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 5.7 m-70 -98.32 43.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -56.37 -35.13 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 25.7 p90 -50.67 -36.64 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.441 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 17.8 mt -50.75 164.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -95.59 163.05 13.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -47.6 -50.09 25.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -58.57 -46.03 87.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.417 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -61.39 -43.63 98.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.2 mm -64.71 -58.82 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.47 -52.19 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.86 -53.94 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.8 tp -44.57 -48.69 10.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ARG . 43.7 t -56.48 -48.38 77.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 70' ' ' CYS . 18.7 mmt180 -36.75 -42.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.555 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -77.94 -42.95 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.805 HD11 HG11 ' A' ' 54' ' ' VAL . 60.2 mt -58.48 -57.22 13.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.2 p30 -51.06 -47.1 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.416 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 87.0 m -48.88 -43.62 39.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 26' ' ' ALA . 35.1 mt -75.32 -34.54 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.469 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.9 m-80 -53.72 -33.95 57.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -98.15 -31.07 12.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.436 ' C ' ' HG3' ' A' ' 82' ' ' MET . 1.6 m -75.03 -12.6 60.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -94.95 -42.35 8.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.0 p -84.24 -19.78 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.436 ' HG3' ' C ' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -43.67 -23.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 83' ' ' LYS . 5.2 tmtm? -50.11 -39.19 42.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 mp -77.93 -52.09 9.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -137.46 117.93 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 t -92.51 165.88 12.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.92 83.98 0.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 90.53 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 t -73.66 85.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.0 m 57.79 54.2 6.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -121.95 -49.86 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -76.96 92.24 3.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.5 65.63 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.433 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 m -100.02 136.1 40.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -151.93 169.2 22.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.19 87.63 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.52 87.74 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.1 m -137.79 118.97 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -121.07 126.77 50.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -137.67 135.47 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -123.62 78.76 55.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.699 . . . . 0.0 110.894 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -164.37 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.401 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.502 ' OD1' ' HA3' ' A' ' 87' ' ' GLY . 12.9 p-10 -66.41 -51.29 58.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.0 p -120.23 100.56 7.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.6 tpt -123.64 -61.53 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.8 mm -40.15 -39.76 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.593 HD23 ' C ' ' A' ' 18' ' ' LEU . 6.1 tt -50.66 -67.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.804 HG21 ' HG3' ' A' ' 82' ' ' MET . 61.3 p -53.97 -18.99 4.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -77.53 -49.41 14.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.6 mt -56.32 -58.41 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -45.57 -30.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -70.0 -58.39 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.49 -46.01 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -47.14 -55.72 7.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.595 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -59.84 -57.37 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.608 ' HA ' HD12 ' A' ' 30' ' ' LEU . 64.3 m -44.83 -57.99 3.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -43.68 -34.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.592 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 87.5 t90 -76.08 -57.37 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.638 HD22 ' CB ' ' A' ' 38' ' ' TYR . 13.5 mt -43.5 -38.76 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -87.12 -23.81 24.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -102.07 13.7 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' TRP . 6.7 t -115.24 -40.58 3.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 33' ' ' THR . . . 151.11 -11.69 0.79 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -113.62 84.47 8.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.92 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -22.02 32.87 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -68.98 -31.76 70.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.783 ' OH ' HG13 ' A' ' 54' ' ' VAL . 13.8 m-85 -75.59 -25.37 56.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -86.42 -21.1 27.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -86.83 -42.21 13.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 38' ' ' TYR . 11.0 mt -49.07 -38.9 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.459 ' CZ ' ' HB1' ' A' ' 23' ' ' ALA . 22.6 t80 -78.04 -36.46 48.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.7 -25.09 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.9 0.11 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 66.39 48.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.3 mt -100.0 -30.77 11.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.509 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 9.6 m-85 -54.01 160.45 2.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.78 160.51 87.95 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.356 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.597 HD11 HD22 ' A' ' 73' ' ' LEU . 29.2 pt -112.0 176.61 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' O ' HG23 ' A' ' 54' ' ' VAL . 1.5 m-20 -83.21 100.09 10.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.777 HD11 ' ND2' ' A' ' 77' ' ' ASN . 27.4 mm -63.65 -64.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.2 p -39.43 -39.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' VAL . 4.0 mm? -65.34 -51.79 58.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.89 HG11 HD11 ' A' ' 73' ' ' LEU . 75.2 t -37.75 -33.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ASP . 26.8 mttp -78.16 -51.6 9.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -55.7 -43.46 76.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -71.31 -44.57 64.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -105.09 40.85 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -65.74 -11.44 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -67.27 -39.89 86.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.2 mt -49.92 167.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.15 166.45 13.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -53.53 -46.94 70.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -60.12 -51.67 68.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.65 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.8 mm -60.99 -51.56 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -47.64 -54.78 10.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -66.1 -54.53 24.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -39.39 -46.24 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.68 -39.57 93.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 17.3 mmt180 -52.11 -26.51 11.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.592 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 11.4 mmt180 -87.57 -46.24 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.89 HD11 HG11 ' A' ' 54' ' ' VAL . 32.4 mt -55.84 -52.24 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.6 p30 -54.54 -42.17 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.489 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 96.2 m -54.14 -36.24 63.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 26' ' ' ALA . 28.7 mt -86.77 -30.42 21.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.777 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.9 m-80 -51.26 -32.85 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.475 ' HA ' HG12 ' A' ' 81' ' ' VAL . 47.0 pttt -98.31 -49.31 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 19' ' ' THR . 1.6 m -53.55 -15.35 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.26 -65.98 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' A' ' 78' ' ' LYS . 2.4 p -39.6 -32.04 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.804 ' HG3' HG21 ' A' ' 19' ' ' THR . 20.6 mmt -39.29 -43.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 82' ' ' MET . 1.1 tmtp? -32.87 -39.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' MET . 5.7 mp -71.95 -65.91 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -46.46 159.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -158.39 164.36 36.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.502 ' HA3' ' OD1' ' A' ' 14' ' ' ASP . . . -108.29 145.27 16.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.486 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -171.51 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' SER . 5.4 m -94.05 98.91 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' SER . 74.3 m -34.59 -58.68 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -101.14 171.56 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 m -156.97 139.8 15.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.25 -147.22 14.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -75.24 107.3 7.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -65.26 117.72 8.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.31 -110.63 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtp -128.83 -179.27 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.7 p -85.82 50.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -61.21 -62.67 1.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.11 125.81 29.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' CD ' ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -45.56 137.49 5.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 110.933 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HD2' ' CD ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.73 141.59 45.76 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.393 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -157.93 160.57 37.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.7 p -47.93 139.75 7.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.434 ' O ' ' CD ' ' A' ' 20' ' ' GLN . 56.2 mtm -123.65 -49.08 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 17' ' ' ILE . 5.1 mp -68.5 -39.96 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 tt -55.64 -53.48 55.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 p -55.04 -37.68 67.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.434 ' CD ' ' O ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -65.6 -47.56 75.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.6 mt -56.05 -51.58 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -52.29 -65.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB1' ' CE1' ' A' ' 42' ' ' TYR . . . -53.45 -45.44 69.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -44.31 -50.37 9.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -54.64 -55.95 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.78 -60.17 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.561 ' HA ' HD12 ' A' ' 30' ' ' LEU . 39.4 m -49.0 -49.06 42.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -52.76 -30.45 32.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.496 ' O ' ' N ' ' A' ' 32' ' ' ALA . 89.3 t90 -80.04 -59.12 2.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 27' ' ' CYS . 8.5 mt -42.63 -35.6 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -85.59 -25.29 26.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -104.83 13.63 30.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . 9.7 t -112.89 -40.62 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' N ' HG23 ' A' ' 33' ' ' THR . . . 152.27 -12.77 0.7 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.528 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 66.5 m-85 -109.77 85.72 4.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.892 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -15.4 37.18 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -80.38 -40.24 26.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.529 ' CB ' HD22 ' A' ' 30' ' ' LEU . 23.3 m-85 -68.82 -18.91 64.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -88.33 -19.05 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -93.14 -44.74 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 38' ' ' TYR . 52.9 mt -42.97 -50.59 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.666 ' CD2' HD22 ' A' ' 76' ' ' LEU . 41.6 t80 -63.92 -42.0 97.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.69 -21.4 60.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.23 5.3 48.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 61.02 47.38 7.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.53 -26.99 13.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.2 m-85 -56.0 160.86 4.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.7 Cg_endo -69.8 160.82 87.5 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.351 -0.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.671 HD11 HD13 ' A' ' 73' ' ' LEU . 14.3 pt -108.25 173.43 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.684 ' O ' HG23 ' A' ' 54' ' ' VAL . 31.8 p-10 -72.89 85.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.414 HD12 ' HB2' ' A' ' 73' ' ' LEU . 47.6 mm -59.72 -65.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.4 m -45.94 -32.14 2.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.7 ' O ' HD13 ' A' ' 53' ' ' LEU . 2.4 tm? -73.9 -39.71 63.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 50' ' ' ASP . 72.7 t -54.37 -25.41 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -81.79 -35.77 29.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.52 -39.15 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.47 -53.0 58.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -91.57 39.49 1.01 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -13.45 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -76.28 -31.84 58.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.72 164.37 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -88.68 173.34 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.417 ' HD3' ' C ' ' A' ' 63' ' ' ARG . 3.3 tmt_? -58.78 -44.8 90.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -64.25 -51.27 64.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.17 -53.37 43.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.3 mm -58.99 -42.94 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.04 -48.35 82.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.02 86.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 35' ' ' PHE . 27.6 tp -63.98 -50.83 67.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 13.8 t -65.5 -31.61 72.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -51.71 -21.2 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -96.42 -51.71 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.671 HD13 HD11 ' A' ' 49' ' ' ILE . 7.5 mt -52.96 -51.28 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' CG ' ' N ' ' A' ' 75' ' ' THR . 2.6 p30 -51.73 -46.14 63.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 35.8 m -59.7 -28.51 67.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.666 HD22 ' CD2' ' A' ' 42' ' ' TYR . 49.7 mt -82.47 -32.97 28.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.973 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -52.83 -61.51 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 79' ' ' CYS . 5.9 pttp -57.8 -34.0 69.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.5 t -70.92 -24.47 62.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.499 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -93.46 -21.83 19.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.973 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.8 t -94.76 -30.71 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -39.04 -25.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 81' ' ' VAL . 11.6 tmtt? -48.08 -47.15 34.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.52 -63.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -52.1 152.1 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.6 p -111.93 76.75 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.04 78.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -3.95 13.0 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.391 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.9 m -60.13 168.28 2.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.1 m -76.02 149.13 37.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.493 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m 44.31 48.5 7.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -100.43 -45.55 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.37 -163.78 12.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -114.86 166.24 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.86 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -95.11 42.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.38 99.45 2.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 ptt? -87.73 142.92 27.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.8 p -142.53 131.67 23.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -72.59 -63.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -89.65 174.16 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -104.05 146.07 31.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.873 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 124.76 11.38 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -59.24 -53.46 58.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.0 p -112.8 113.91 26.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.6 tpp -107.64 -49.43 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LEU . 4.9 mp -74.69 -52.9 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' ILE . 4.6 tt -35.44 -57.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.554 HG21 ' HG2' ' A' ' 82' ' ' MET . 3.4 m -47.79 -51.77 21.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -47.45 -43.17 23.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.6 mt -61.02 -63.53 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -42.65 -45.86 4.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 79' ' ' CYS . . . -66.25 -65.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 23' ' ' ALA . 3.6 tppp? -36.37 -53.83 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -40.88 -54.37 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.972 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -58.4 -52.52 65.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.901 ' HA ' HD12 ' A' ' 30' ' ' LEU . 92.8 m -53.07 -60.8 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 28' ' ' ASP . 35.9 t0 -43.75 -39.66 3.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.575 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 87.6 t90 -69.12 -50.96 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.901 HD12 ' HA ' ' A' ' 27' ' ' CYS . 12.4 mt -46.5 -37.91 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -86.22 -31.55 21.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.72 0.86 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TRP . 11.8 t -106.21 -35.94 7.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.83 -10.42 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.542 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -113.4 82.01 5.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -16.62 37.49 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -76.95 -37.49 55.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.763 ' CB ' HD22 ' A' ' 30' ' ' LEU . 8.1 m-85 -66.12 -18.93 65.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.435 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -91.55 -22.24 20.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -86.93 -42.68 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.708 ' HA ' HD12 ' A' ' 46' ' ' LEU . 21.6 mt -49.3 -46.94 47.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -67.29 -38.27 84.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.28 -18.53 62.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -95.8 12.93 28.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 58.87 47.79 12.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 41' ' ' LEU . 95.0 mt -105.4 -27.17 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.537 ' CE2' HG12 ' A' ' 49' ' ' ILE . 7.3 m-85 -65.78 160.76 59.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.615 0.722 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.81 159.76 89.29 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.293 0.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.626 HD11 HD22 ' A' ' 73' ' ' LEU . 34.7 pt -108.18 177.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.34 93.95 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.818 HD11 ' ND2' ' A' ' 77' ' ' ASN . 50.9 mm -55.38 -64.21 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p -39.58 -38.09 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HG3' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -66.99 -48.37 68.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.729 HG21 HD13 ' A' ' 73' ' ' LEU . 33.1 t -42.66 -37.98 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -77.72 -34.22 52.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 53' ' ' LEU . 25.5 ttt85 -66.31 -37.39 85.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 53' ' ' LEU . 6.8 mt-10 -81.93 -39.39 23.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -105.27 32.58 4.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.37 -34.69 66.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -53.84 -40.66 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB2' HD11 ' A' ' 66' ' ' ILE . 23.7 mt -40.99 161.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.97 165.87 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -59.6 -41.8 91.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -48.55 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.25 82.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 61' ' ' LEU . 9.7 mm -62.83 -55.78 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -46.19 -55.93 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.46 47.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.5 tp -40.2 -41.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.946 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 40.6 t -68.61 -44.76 73.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.418 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 28.9 mmm180 -48.06 -25.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.575 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 11.5 mmm180 -89.17 -44.74 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.729 HD13 HG21 ' A' ' 54' ' ' VAL . 83.5 mt -58.34 -52.43 65.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 75' ' ' THR . 0.9 OUTLIER -51.86 -43.35 63.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.502 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.0 m -54.12 -33.81 58.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.972 HD21 ' HB3' ' A' ' 26' ' ' ALA . 51.3 mt -90.17 -26.5 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.818 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.0 m-80 -56.38 -34.16 66.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -98.11 -37.78 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.478 ' O ' ' HE2' ' A' ' 82' ' ' MET . 1.6 m -64.09 -6.54 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.67 -31.14 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.8 t -83.97 -28.01 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.554 ' HG2' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -37.15 -28.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -67.33 -46.09 74.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 3.9 mt -38.96 -29.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 83' ' ' LYS . 13.0 mt-10 34.45 47.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 87' ' ' GLY . 78.2 p -94.4 144.05 25.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 86' ' ' SER . . . -32.93 96.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.435 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.428 ' N ' ' O ' ' A' ' 86' ' ' SER . 53.7 Cg_endo -69.81 138.81 38.55 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.1 m -97.14 137.1 36.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.0 t -41.46 -48.93 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t 57.17 44.66 21.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.845 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -103.38 82.66 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.09 131.82 10.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 p -100.84 43.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -157.2 147.71 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.47 -138.37 4.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 tpp -153.55 119.13 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.717 0.294 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.8 p -59.94 -48.75 80.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -91.09 163.59 14.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -130.98 134.64 46.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -112.29 81.18 3.76 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 106.83 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' THR . 16.6 t70 -102.77 124.03 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 14' ' ' ASP . 67.3 p 34.09 39.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.7 ptm -51.84 -44.19 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -53.07 -53.97 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.535 ' HA ' HD12 ' A' ' 21' ' ' ILE . 2.8 tt -60.47 -54.72 42.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.955 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.1 m -45.61 -48.51 14.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -55.3 -48.3 74.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 18' ' ' LEU . 40.4 mt -56.02 -52.56 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -50.08 -59.91 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 79' ' ' CYS . . . -54.81 -51.43 65.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -43.0 -61.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -38.54 -50.26 1.56 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.521 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -58.36 -50.77 72.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.84 -56.6 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -50.62 -33.44 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.525 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 90.2 t90 -73.53 -55.51 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 38' ' ' TYR . 27.9 mt -45.26 -38.06 5.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -87.32 -27.32 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.81 7.2 46.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.1 t -112.17 -41.25 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.417 ' N ' ' CG2' ' A' ' 33' ' ' THR . . . 154.89 -17.03 0.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' LEU . 49.0 m-85 -110.07 81.23 2.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.721 . . . . 0.0 110.919 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -20.12 35.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.728 2.285 . . . . 0.0 112.341 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -72.55 -35.96 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.696 ' HB3' HD13 ' A' ' 30' ' ' LEU . 3.6 m-85 -63.84 -28.14 69.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -84.13 -22.54 31.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.0 -42.29 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 mt -49.57 -45.25 47.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -69.33 -37.12 77.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.46 -27.28 67.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -94.17 6.12 49.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 63.21 46.28 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.9 mt -95.7 -32.12 12.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.523 ' CE2' HG12 ' A' ' 49' ' ' ILE . 8.1 m-85 -55.88 160.86 3.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.77 163.75 81.05 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.342 0.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.523 HG12 ' CE2' ' A' ' 47' ' ' PHE . 18.2 pt -110.65 172.42 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.75 92.11 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.7 HD11 ' ND2' ' A' ' 77' ' ' ASN . 42.7 mm -57.95 -62.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.4 p -43.13 -37.1 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.511 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -68.29 -44.52 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.623 HG13 ' OH ' ' A' ' 38' ' ' TYR . 61.8 t -51.17 -28.54 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -82.03 -45.17 15.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -58.21 -43.13 87.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -69.59 -48.9 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.414 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 7.5 m-70 -97.09 36.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -58.55 -28.0 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.414 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 51.7 p90 -56.24 -41.95 76.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.8 mt -48.78 160.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.67 145.84 25.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -39.35 -50.37 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.3 -46.86 82.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.19 88.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.4 mm -67.26 -60.17 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -38.43 -43.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.811 ' HB1' ' NH2' ' A' ' 72' ' ' ARG . . . -65.37 -51.57 59.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.33 -49.3 76.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 52.4 t -58.6 -42.37 87.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.406 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 37.1 mtt180 -49.92 -30.16 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.811 ' NH2' ' HB1' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -88.27 -42.6 12.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.539 HD11 HG11 ' A' ' 54' ' ' VAL . 28.3 mt -58.79 -55.56 33.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.9 p30 -50.7 -40.94 55.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.462 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 49.5 m -53.55 -35.65 60.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 26' ' ' ALA . 48.0 mt -88.31 -24.84 23.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.7 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.8 m-80 -57.63 -33.69 68.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.778 ' HA ' HG12 ' A' ' 81' ' ' VAL . 16.3 pttm -98.21 -37.81 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 1.6 m -63.7 -6.22 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.25 -10.67 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.778 HG12 ' HA ' ' A' ' 78' ' ' LYS . 9.9 p -120.61 1.39 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.629 ' HE1' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -73.65 3.72 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.629 ' N ' ' HE1' ' A' ' 82' ' ' MET . 5.7 ttmt -82.15 -46.35 13.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 mp -80.8 -56.78 3.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -53.54 140.94 26.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.0 t -129.31 -50.53 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.27 -167.39 3.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 131.7 21.79 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.724 2.283 . . . . 0.0 112.336 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.0 m -75.95 158.18 32.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.3 p -135.33 130.19 34.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.509 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 p -121.42 170.05 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.1 m -136.69 112.4 9.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.11 154.45 53.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -106.23 -44.54 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.835 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m 52.83 43.12 31.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.35 124.82 1.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.446 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.5 mtt -64.6 109.45 2.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.3 m -110.25 141.5 43.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -65.13 115.96 6.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -90.24 153.35 20.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -115.59 80.98 8.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.541 0.686 . . . . 0.0 110.898 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ASP . 53.9 Cg_endo -69.77 1.38 4.49 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.379 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' PRO . 16.2 t70 -34.82 -48.18 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.4 p -123.82 61.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.0 ttp -98.55 -41.13 7.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.669 ' O ' HD12 ' A' ' 21' ' ' ILE . 5.3 mm -71.07 -47.02 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 tt -53.78 -63.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 p -42.11 -52.05 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -38.17 -50.02 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 17' ' ' ILE . 4.6 mp -60.31 -63.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -42.59 -61.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.6 -60.7 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -37.1 -49.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -52.2 -48.24 65.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.822 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -64.01 -60.5 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.783 ' HA ' HD12 ' A' ' 30' ' ' LEU . 68.3 m -48.24 -56.64 7.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -45.69 -36.77 5.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.6 ' CE3' ' HG3' ' A' ' 72' ' ' ARG . 84.3 t90 -74.49 -58.05 3.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 27' ' ' CYS . 6.8 mt -42.82 -36.6 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.95 -23.21 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -104.34 13.63 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' TRP . 7.5 t -113.78 -40.44 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 33' ' ' THR . . . 153.53 -13.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE1' ' NE2' ' A' ' 58' ' ' HIS . 81.5 m-85 -114.11 82.55 7.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -16.51 37.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -75.67 -31.76 59.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.792 ' OH ' HG22 ' A' ' 54' ' ' VAL . 10.0 m-85 -73.37 -19.59 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.13 -18.46 27.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -90.85 -40.36 11.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 38' ' ' TYR . 10.6 mt -47.5 -44.22 25.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.5 -36.56 68.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.52 -20.49 65.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -100.02 5.97 45.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 62.23 45.28 6.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.65 -30.51 13.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.49 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 7.9 m-85 -54.21 160.88 2.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.835 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.76 171.05 55.48 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.338 0.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.754 HD11 HD22 ' A' ' 73' ' ' LEU . 17.6 pt -122.26 169.07 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -80.35 100.53 8.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.604 HD11 ' ND2' ' A' ' 77' ' ' ASN . 49.5 mm -63.46 -48.39 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 p -53.5 -19.46 3.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.554 HD21 HH21 ' A' ' 56' ' ' ARG . 0.3 OUTLIER -84.66 -49.98 8.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.87 HG11 HD11 ' A' ' 73' ' ' LEU . 70.0 t -46.45 -39.88 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -73.16 -27.72 61.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.554 HH21 HD21 ' A' ' 53' ' ' LEU . 1.3 tmm_? -72.04 -40.11 68.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -68.75 -49.19 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.514 ' NE2' ' CE1' ' A' ' 35' ' ' PHE . 6.7 m-70 -99.23 32.61 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.48 -22.99 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.508 ' CE1' ' HA ' ' A' ' 58' ' ' HIS . 54.5 p90 -67.67 -37.65 82.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.4 mt -42.27 164.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.23 153.84 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -48.76 -45.76 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.32 -46.97 86.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.12 -51.11 71.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 67' ' ' GLU . 17.7 mm -59.85 -60.44 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' ILE . 9.8 mt-10 -35.74 -47.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -69.33 -58.71 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.668 HD21 ' CG1' ' A' ' 54' ' ' VAL . 11.3 tp -38.03 -46.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 53.0 t -62.85 -40.04 96.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 68' ' ' ALA . 2.8 mmp_? -54.44 -20.56 7.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.6 ' HG3' ' CE3' ' A' ' 29' ' ' TRP . 17.3 mmt180 -96.27 -36.95 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.87 HD11 HG11 ' A' ' 54' ' ' VAL . 86.8 mt -68.34 -58.25 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -47.31 -44.53 23.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.5 m -50.8 -48.11 59.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.822 HD21 ' HB3' ' A' ' 26' ' ' ALA . 29.6 mt -72.81 -37.3 67.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.604 ' ND2' HD11 ' A' ' 51' ' ' ILE . 4.2 m-80 -54.51 -31.94 57.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -98.15 -23.1 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.02 -8.13 58.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -97.67 -38.68 9.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 82' ' ' MET . 10.8 p -84.61 -23.02 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.487 ' SD ' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -37.46 -34.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.487 ' N ' ' SD ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -39.62 -48.76 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 84' ' ' LEU . 3.8 mm? -57.43 -66.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -110.89 120.3 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -50.53 172.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.57 83.44 0.33 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -10.52 28.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.5 p -97.77 167.62 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.0 p -169.87 133.55 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.462 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -143.59 177.03 8.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p -113.8 41.98 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.06 -178.46 43.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -75.59 142.09 42.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -131.56 178.48 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.52 -56.71 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.445 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.3 ttp -49.62 103.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.7 m -56.57 -63.63 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -159.0 140.11 12.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -174.96 145.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.97 144.11 0.81 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.552 0.692 . . . . 0.0 110.897 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 2.83 3.2 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.323 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t70 73.27 45.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.458 ' HB ' ' CB ' ' A' ' 18' ' ' LEU . 3.0 m -68.86 115.89 8.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.509 ' CG ' HD12 ' A' ' 17' ' ' ILE . 18.3 ptm -65.3 -37.2 86.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.509 HD12 ' CG ' ' A' ' 16' ' ' MET . 3.0 mp -69.44 -32.14 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.555 ' HA ' HD12 ' A' ' 21' ' ' ILE . 8.9 tt -61.81 -49.22 77.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.8 p -59.43 -40.72 87.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -56.96 -42.74 80.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 18' ' ' LEU . 20.6 mt -61.15 -65.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -43.7 -57.25 3.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.63 68.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -44.5 -45.13 9.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.39 -55.04 36.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.838 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -54.07 -58.16 8.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.3 m -50.07 -56.14 12.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 18.1 t70 -48.92 -32.09 8.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' THR . 89.1 t90 -78.18 -62.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.455 HD22 ' HB3' ' A' ' 38' ' ' TYR . 11.7 mt -41.08 -36.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.54 -29.49 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -98.67 14.45 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' TRP . 10.8 t -114.51 -38.71 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.14 -14.97 1.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -110.51 82.59 2.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -21.13 33.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 pm0 -70.82 -28.36 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.687 ' OH ' HG22 ' A' ' 54' ' ' VAL . 9.7 m-85 -77.92 -18.74 55.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.56 -19.45 22.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -88.7 -39.93 13.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 38' ' ' TYR . 11.6 mt -49.76 -43.69 48.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -72.56 -34.37 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -60.4 -30.93 69.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.33 5.48 49.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 63.33 48.22 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 41' ' ' LEU . 86.9 mt -96.27 -29.98 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.519 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.3 m-85 -54.61 160.34 2.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.81 160.49 88.07 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.344 0.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.519 HG12 ' CE2' ' A' ' 47' ' ' PHE . 37.3 pt -108.99 168.72 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.44 90.62 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.635 HD11 ' ND2' ' A' ' 77' ' ' ASN . 50.9 mm -54.47 -64.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -40.2 -31.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.48 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -67.15 -49.1 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.943 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.855 HG21 ' CD1' ' A' ' 73' ' ' LEU . 54.7 t -43.96 -34.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -76.5 -42.85 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -59.26 -43.02 92.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -76.28 -44.41 37.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -100.65 36.2 1.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -41.79 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -45.28 -43.21 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.5 mt -44.07 160.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -91.69 158.68 16.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -48.17 -44.95 33.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -65.59 -45.24 83.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.34 89.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 67' ' ' GLU . 20.6 mm -65.4 -62.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' ILE . 9.8 mt-10 -35.79 -45.37 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.94 67.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.437 HD21 ' CG1' ' A' ' 54' ' ' VAL . 27.5 tp -57.48 -42.31 82.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.5 t -66.56 -41.8 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.459 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 43.9 mtt180 -45.9 -26.42 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -90.59 -55.27 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.855 ' CD1' HG21 ' A' ' 54' ' ' VAL . 13.5 mt -50.09 -55.77 13.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.9 p30 -49.07 -49.0 43.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.451 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 53.7 m -52.39 -35.43 51.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.838 HD21 ' HB3' ' A' ' 26' ' ' ALA . 42.2 mt -81.1 -42.42 21.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.635 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.8 m-80 -50.19 -27.54 6.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -92.58 -41.18 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.413 ' O ' ' SD ' ' A' ' 82' ' ' MET . 1.2 t -72.09 -5.24 33.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.512 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -98.0 -24.75 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 82' ' ' MET . 8.0 p -125.98 -0.67 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.508 ' N ' ' SD ' ' A' ' 82' ' ' MET . 0.1 OUTLIER -33.54 -40.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -38.92 -50.37 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.58 -48.81 73.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.55 156.58 19.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.1 m -45.04 144.39 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -169.18 -80.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 119.05 6.05 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.366 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 t -119.52 -58.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.2 m -91.45 110.97 22.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 p 41.35 42.53 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -107.67 133.73 51.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.55 105.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 p -124.7 129.82 51.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.827 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -153.19 166.22 33.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.68 -47.56 23.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.36 167.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 p -171.91 166.4 6.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HD3' ' CG ' ' A' ' 12' ' ' LYS . 17.0 ttt-85 -101.18 144.85 29.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -52.12 -19.16 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.468 ' CG ' ' HD3' ' A' ' 10' ' ' ARG . 26.8 mmtp -53.23 142.44 37.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.552 0.692 . . . . 0.0 110.909 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -10.67 29.18 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.335 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -44.52 116.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.476 ' HB ' ' CB ' ' A' ' 18' ' ' LEU . 88.8 m -165.73 130.74 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.3 ttt -47.95 -48.63 31.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.731 ' O ' HD12 ' A' ' 21' ' ' ILE . 5.8 mm -70.09 -60.43 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.529 ' HA ' HD13 ' A' ' 21' ' ' ILE . 6.2 tt -41.32 -50.93 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -51.48 -50.04 60.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -48.2 -40.33 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 17' ' ' ILE . 5.3 mp -70.16 -62.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -46.03 -39.77 9.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.71 -61.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -38.81 -43.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.52 ' OE2' HG22 ' A' ' 21' ' ' ILE . 38.4 mt-10 -53.76 -48.55 69.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.11 -58.67 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.831 ' HA ' HD12 ' A' ' 30' ' ' LEU . 65.1 m -52.83 -60.91 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 5.4 t70 -41.58 -40.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.502 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 90.4 t90 -72.77 -48.22 40.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 27' ' ' CYS . 16.2 mt -49.69 -41.49 43.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -87.77 -25.71 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 28' ' ' ASP . . . -92.88 8.16 40.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' TRP . 4.8 t -115.08 -37.44 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.86 -13.9 0.66 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -109.15 82.49 1.95 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -18.58 36.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -75.51 -40.72 56.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.694 ' HB3' HD22 ' A' ' 30' ' ' LEU . 6.4 m-85 -61.6 -28.15 69.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.06 -13.57 46.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -91.2 -44.09 9.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.1 mt -46.76 -41.25 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -73.33 -37.26 66.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.52 -24.1 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -97.41 -0.38 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 68.18 50.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.42 -31.57 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.503 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 12.9 m-85 -55.03 159.88 3.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.671 0.748 . . . . 0.0 110.83 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.78 162.84 83.34 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.327 0.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.084 HD11 HD12 ' A' ' 73' ' ' LEU . 21.8 pt -114.4 167.16 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -80.2 91.01 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.828 HD11 ' ND2' ' A' ' 77' ' ' ASN . 42.3 mm -52.66 -41.45 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.1 p -46.0 -47.59 16.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' LYS . 3.2 mt -63.18 -49.17 75.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.673 HG13 ' OH ' ' A' ' 38' ' ' TYR . 76.6 t -37.97 -26.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.147 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' LEU . 37.7 mttt -87.68 -54.59 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.48 ' CD ' HD22 ' A' ' 53' ' ' LEU . 6.0 ptm180 -55.86 -44.0 77.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 56' ' ' ARG . 63.8 mm-40 -67.53 -42.24 83.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -104.41 44.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.72 -27.98 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -60.48 -17.85 47.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.64 164.08 26.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.03 142.79 27.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 63' ' ' ARG . 7.2 tmm_? -38.21 -48.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -59.38 -43.93 92.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.26 -51.02 69.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.0 mm -58.78 -47.7 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -49.62 -47.31 49.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . -70.54 -60.18 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' ALA . 9.8 tp -37.83 -50.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 37.7 t -52.87 -42.94 65.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.432 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 8.0 mmt85 -45.28 -23.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.502 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -90.35 -48.78 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.084 HD12 HD11 ' A' ' 49' ' ' ILE . 2.0 mm? -56.55 -60.69 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 71' ' ' ARG . 1.4 p30 -45.4 -44.09 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.6 m -52.18 -37.49 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt -85.26 -30.38 23.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.828 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.1 m-80 -51.91 -35.07 44.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.15 -37.18 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.54 -7.67 27.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.36 -36.72 10.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.6 t -76.29 -36.77 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -34.15 -32.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 81' ' ' VAL . 9.0 tmtm? -39.01 -47.31 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 85' ' ' GLU . 4.6 mp -93.76 -46.85 7.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 84' ' ' LEU . 1.3 tm-20 -34.99 113.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 m -143.39 176.89 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.23 178.84 37.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -15.73 37.36 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.305 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 81.0 p -53.33 137.94 33.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -58.6 94.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 p -142.39 169.22 17.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -68.02 93.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.87 128.88 9.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 m -79.99 -61.27 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -52.23 -44.18 64.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.25 114.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 tpt -92.31 97.44 10.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.5 p 39.15 42.04 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -84.46 163.65 19.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -69.63 179.66 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -134.52 81.53 48.14 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.545 0.688 . . . . 0.0 110.913 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.422 ' O ' HG23 ' A' ' 15' ' ' THR . 54.1 Cg_endo -69.79 146.97 61.62 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.248 . . . . 0.0 112.355 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -49.9 119.46 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 13' ' ' PRO . 28.7 p -133.66 61.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.13 -13.55 28.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.2 mp -77.51 -42.12 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.23 -49.45 77.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.3 p -53.43 -50.01 66.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -41.55 -31.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.4 mt -80.15 -59.4 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -50.24 -53.65 26.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.89 -61.0 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -37.05 -51.32 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -49.8 -53.84 22.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.59 -59.43 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.524 ' HA ' HD12 ' A' ' 30' ' ' LEU . 87.1 m -46.23 -56.67 5.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -50.17 -39.75 44.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.591 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 91.7 t90 -69.01 -53.94 17.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 27' ' ' CYS . 31.6 mt -44.69 -41.65 6.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.47 -18.9 28.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.25 8.93 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' TRP . 5.1 t -114.02 -36.57 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.32 -15.75 0.66 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.548 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.404 ' CE2' HD13 ' A' ' 69' ' ' LEU . 66.2 m-85 -108.91 81.76 1.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -7.51 21.22 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -87.91 -41.54 13.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.811 ' OH ' HG22 ' A' ' 54' ' ' VAL . 8.3 m-85 -60.68 -25.06 66.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 30' ' ' LEU . . . -84.39 -19.73 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -88.26 -46.05 9.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.0 mt -46.04 -40.91 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -77.0 -26.61 54.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.16 -28.93 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -89.25 -2.11 58.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 71.9 46.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.42 -30.39 12.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.523 ' CE2' HG12 ' A' ' 49' ' ' ILE . 8.5 m-85 -54.28 160.71 2.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.2 Cg_endo -69.72 162.61 83.66 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.407 -0.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.523 HG12 ' CE2' ' A' ' 47' ' ' PHE . 22.3 pt -114.31 170.01 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.94 100.62 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.577 HD11 ' ND2' ' A' ' 77' ' ' ASN . 51.0 mm -65.58 -51.31 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.2 p -50.07 -31.91 14.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.72 -50.61 19.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.811 HG22 ' OH ' ' A' ' 38' ' ' TYR . 23.3 t -40.87 -41.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -72.02 -45.94 59.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -36.68 62.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.17 -46.9 39.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -102.54 41.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -17.6 22.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -68.0 -41.54 82.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.8 mt -43.05 165.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -90.46 166.89 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.3 ttt-85 -55.94 -49.14 74.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -63.57 -42.19 98.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.72 -48.24 81.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 66' ' ' ILE . 12.2 mm -59.03 -51.83 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.15 -46.34 82.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.21 76.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD13 ' CE2' ' A' ' 35' ' ' PHE . 3.6 tp -74.24 -48.39 29.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.4 t -56.87 -34.07 67.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.462 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . 31.6 mtp180 -56.74 -17.84 10.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.591 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 2.8 mpt_? -96.14 -47.75 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.499 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 3.2 mm? -59.24 -55.65 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 75' ' ' THR . 1.0 OUTLIER -49.25 -46.35 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.488 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 98.6 m -52.28 -36.13 51.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mt -85.52 -32.04 22.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.577 ' ND2' HD11 ' A' ' 51' ' ' ILE . 2.0 m-80 -51.29 -32.14 23.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -98.07 -39.89 8.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.27 -6.65 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.55 -34.37 10.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.5 t -77.69 -36.99 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.454 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -34.01 -33.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 81' ' ' VAL . 11.7 ttpp -37.54 -58.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 mp -65.01 -42.45 94.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -44.07 -31.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.2 t -54.97 161.31 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.3 149.99 2.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -1.0 7.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 m -44.79 -43.27 8.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.9 p -113.94 121.63 44.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 m -92.96 143.08 26.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.375 . . . . 0.0 110.875 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 p -52.73 -55.65 21.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.43 174.59 15.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 p -58.49 116.88 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -106.12 124.72 50.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.5 58.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.5 mtp -83.66 132.26 34.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 p -165.13 168.08 17.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 1.7 mpt_? -66.05 119.26 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -89.58 158.09 17.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -56.61 122.65 52.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.547 0.689 . . . . 0.0 110.908 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -20.09 35.14 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.308 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 15' ' ' THR . 18.9 m-20 -130.61 162.68 28.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' ASP . 73.3 p 36.81 48.03 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.5 ptp -82.36 -26.6 32.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.5 mm -78.71 -54.63 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tt -45.15 -66.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 p -45.99 -50.09 15.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 18.5 tt0 -50.03 -45.21 51.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.97 -66.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -47.61 -58.46 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.576 ' HB1' ' CZ ' ' A' ' 42' ' ' TYR . . . -55.3 -40.99 71.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 3.4 tppp? -60.75 -41.52 95.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.05 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.979 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -59.41 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.595 ' SG ' ' CD1' ' A' ' 42' ' ' TYR . 24.9 m -43.09 -59.95 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -43.6 -48.42 7.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' THR . 91.1 t90 -58.22 -61.5 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.0 mt -40.2 -40.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . 5.4 tpt180 -87.76 -25.02 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -98.36 11.77 37.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' TRP . 6.1 t -116.34 -31.36 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.73 -10.64 1.44 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.433 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -109.0 80.92 1.4 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.76 19.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -93.22 -39.95 10.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.67 ' OH ' HG22 ' A' ' 54' ' ' VAL . 9.7 m-85 -67.78 -20.14 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' ' 31' ' ' ARG . . . -85.6 -18.58 32.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -93.11 -43.61 8.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.734 ' HA ' HD12 ' A' ' 46' ' ' LEU . 90.4 mt -44.55 -48.35 10.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.595 ' CD1' ' SG ' ' A' ' 27' ' ' CYS . 31.4 t80 -65.19 -34.29 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -74.36 -19.05 60.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.21 5.76 50.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.822 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 62.39 46.97 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 41' ' ' LEU . 20.7 mt -103.45 -24.27 13.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.51 ' HA ' ' C ' ' A' ' 48' ' ' PRO . 9.1 m-85 -62.77 158.78 49.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.657 0.742 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.3 Cg_endo -69.79 157.08 92.51 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.35 0.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.432 HD11 HD12 ' A' ' 73' ' ' LEU . 28.6 pt -105.23 174.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.98 94.33 9.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.529 HD11 ' ND2' ' A' ' 77' ' ' ASN . 35.6 mm -62.46 -40.58 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 p -59.31 -26.99 65.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -80.79 -50.04 10.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.67 HG22 ' OH ' ' A' ' 38' ' ' TYR . 56.1 t -41.63 -31.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -83.7 -43.14 15.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -60.68 -42.91 98.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -71.61 -48.24 49.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 2.9 m-70 -98.8 44.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -20.03 65.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -62.74 -32.03 73.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.568 HD22 ' HB1' ' A' ' 65' ' ' ALA . 13.6 mt -54.24 168.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -94.2 158.47 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -48.57 -46.97 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.45 -44.96 89.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -57.59 -49.24 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.7 mm -67.22 -58.62 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -41.02 -43.8 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 69' ' ' LEU . . . -73.52 -61.06 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.602 HD11 HD21 ' A' ' 73' ' ' LEU . 9.6 tp -36.55 -50.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 t -52.88 -48.81 66.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.494 ' O ' ' ND2' ' A' ' 74' ' ' ASN . 21.7 mmm180 -37.72 -38.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -76.29 -55.19 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.602 HD21 HD11 ' A' ' 69' ' ' LEU . 2.4 mm? -49.37 -64.19 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 71' ' ' ARG . 2.1 p30 -46.05 -48.96 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 15.7 m -49.53 -31.68 10.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.979 HD21 ' HB3' ' A' ' 26' ' ' ALA . 3.1 mt -88.43 -39.74 14.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.529 ' ND2' HD11 ' A' ' 51' ' ' ILE . 12.1 m-80 -52.63 -49.35 65.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -72.17 -15.53 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -92.86 -19.79 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.13 -27.44 17.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 83' ' ' LYS . 8.9 p -97.77 -22.89 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -37.5 -28.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 81' ' ' VAL . 28.8 tptt -52.5 -53.18 49.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -71.48 -50.71 28.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -57.32 122.53 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.1 t -148.0 155.16 41.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.25 -157.89 30.12 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.98 9.41 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.3 p -93.56 155.59 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.5 t -97.3 150.14 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t 41.3 42.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.839 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -130.85 169.77 15.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.55 153.3 5.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -173.01 176.68 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -164.72 166.13 20.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.66 89.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttt -98.67 100.49 11.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.9 m -149.69 154.92 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -107.2 100.92 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -140.92 132.92 27.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -101.89 143.27 26.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HG2' ' CG ' ' A' ' 16' ' ' MET . 53.1 Cg_endo -69.8 161.3 46.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.256 . . . . 0.0 112.284 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.08 -56.41 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.9 p -86.98 98.3 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.416 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 37.6 mtm -117.45 -39.83 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.4 mp -76.21 -40.03 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 18' ' ' LEU . 7.7 tt -68.69 -57.71 5.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.504 HG21 ' SD ' ' A' ' 82' ' ' MET . 26.3 m -57.44 -51.35 69.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -41.01 -47.18 3.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 mt -57.75 -64.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.94 -47.83 32.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.02 83.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -53.62 -42.8 68.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.91 -48.37 73.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB3' HD21 ' A' ' 76' ' ' LEU . . . -61.33 -55.86 26.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.9 m -52.52 -49.68 64.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -49.42 -35.34 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.595 ' CE3' ' HG2' ' A' ' 72' ' ' ARG . 89.4 t90 -78.68 -62.34 1.72 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.683 HD22 ' CB ' ' A' ' 38' ' ' TYR . 12.1 mt -40.53 -34.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -86.53 -30.54 21.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' TRP . . . -100.69 15.44 28.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' TRP . 11.5 t -113.15 -39.88 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' N ' HG23 ' A' ' 33' ' ' THR . . . 148.2 -13.62 1.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -111.98 83.11 4.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.52 37.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.24 . . . . 0.0 112.357 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -74.53 -25.29 59.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.683 ' CB ' HD22 ' A' ' 30' ' ' LEU . 13.2 m-85 -83.67 -15.85 47.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.79 -14.59 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -95.15 -40.54 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.689 HD23 HD12 ' A' ' 46' ' ' LEU . 10.2 mt -45.16 -50.73 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -64.45 -37.15 86.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.56 -30.17 69.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -93.21 8.39 40.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 60.52 46.54 9.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.689 HD12 HD23 ' A' ' 41' ' ' LEU . 24.3 mt -94.65 -31.37 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 49' ' ' ILE . 9.6 m-85 -58.76 160.46 10.53 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 47' ' ' PHE . 54.0 Cg_endo -69.78 160.75 87.56 Favored 'Cis proline' 0 C--N 1.342 0.22 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.349 -0.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.561 HG12 ' CE2' ' A' ' 47' ' ' PHE . 10.1 pt -111.54 175.81 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -82.97 98.94 9.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.787 HD11 ' ND2' ' A' ' 77' ' ' ASN . 35.4 mm -63.16 -57.73 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.2 p -46.32 -36.45 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.449 HD13 ' HD2' ' A' ' 56' ' ' ARG . 3.0 mm? -67.22 -48.8 66.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 1.04 HG11 HD11 ' A' ' 73' ' ' LEU . 57.0 t -54.06 -24.88 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -83.85 -43.84 14.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.449 ' HD2' HD13 ' A' ' 53' ' ' LEU . 11.6 ptp180 -71.15 -27.98 63.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.31 -40.35 62.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.507 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . 22.6 m-70 -105.36 38.09 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -21.09 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 58' ' ' HIS . 54.5 p90 -66.91 -42.32 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.48 HD22 ' HB1' ' A' ' 65' ' ' ALA . 19.4 mt -46.04 166.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -91.59 156.82 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -43.54 -54.8 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.21 -48.06 77.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.48 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -56.35 -50.71 70.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.471 HD11 ' HB2' ' A' ' 61' ' ' LEU . 22.6 mm -61.81 -55.06 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -44.08 -52.31 7.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.84 -57.04 8.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 tp -39.74 -38.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 39.1 t -73.22 -43.6 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -38.5 -35.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.595 ' HG2' ' CE3' ' A' ' 29' ' ' TRP . 10.1 mpt_? -84.42 -47.15 10.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.04 HD11 HG11 ' A' ' 54' ' ' VAL . 51.8 mt -53.18 -55.72 22.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.493 ' CG ' ' N ' ' A' ' 75' ' ' THR . 1.6 p30 -54.43 -52.04 63.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.493 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 61.9 m -47.78 -31.5 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.7 HD21 ' HB3' ' A' ' 26' ' ' ALA . 89.0 mt -88.1 -31.65 19.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.787 ' ND2' HD11 ' A' ' 51' ' ' ILE . 1.7 m-80 -53.4 -33.18 52.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.657 ' HA ' HG12 ' A' ' 81' ' ' VAL . 5.8 pttp -98.22 -37.18 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m -66.74 -6.52 16.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' A' ' 47' ' ' PHE . . . -108.57 -47.47 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.657 HG12 ' HA ' ' A' ' 78' ' ' LYS . 7.6 p -64.16 -17.68 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.512 ' HE3' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -77.45 10.38 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.512 ' N ' ' HE3' ' A' ' 82' ' ' MET . 0.1 OUTLIER -82.11 -53.29 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.8 mp -52.38 -54.45 31.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -141.6 154.88 45.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.8 m -69.29 144.05 53.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.02 83.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 89' ' ' SER . 54.4 Cg_endo -69.76 -44.78 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' PRO . 57.5 p 36.65 44.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.3 m -142.5 126.47 17.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.979 . . . . . . . . 0 0 . 1 stop_ save_