data_2fc8_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 2fc8 _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 ' 15' ' ' SER . . . . . 0.421 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.932 0.396 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -82.54 -32.35 28.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.437 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 5.0 m -98.3 129.65 45.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.441 ' CD2' ' HD3' ' A' ' 71' ' ' LYS . 12.5 mt -97.28 129.84 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -84.88 118.95 24.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.49 112.72 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -120.6 139.77 52.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.54 36.12 2.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.7 mt -96.25 176.48 6.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 27' ' ' THR . 4.5 t -98.55 140.68 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -42.97 -23.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -90.99 -32.46 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 24' ' ' SER . 55.3 m -38.83 115.32 0.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -100.81 155.92 17.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.487 ' N ' ' CD1' ' A' ' 44' ' ' ILE . 23.0 mt-10 -50.68 -26.06 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -53.8 47.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 32' ' ' LEU . 7.6 t -68.88 -24.48 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.437 ' N ' HG22 ' A' ' 31' ' ' THR . 48.3 tp -75.63 -38.2 59.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -66.07 -61.8 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' SER . 4.1 mm-40 -48.69 -44.4 37.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' GLU . 19.5 m -35.78 -37.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 59' ' ' VAL . 29.9 m-85 -106.11 103.17 12.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.2 97.92 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.7 -35.71 1.76 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.435 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 78.6 p -49.44 165.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.2 m -109.25 -31.55 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -154.01 168.98 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.37 149.91 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -135.39 148.98 49.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.487 ' CD1' ' N ' ' A' ' 29' ' ' GLU . 53.4 mt -135.88 135.86 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.567 HG21 ' CD2' ' A' ' 56' ' ' PHE . 4.6 m -80.16 152.92 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.9 p -138.24 146.21 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -73.78 152.7 40.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -94.31 -19.49 20.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -85.79 -54.09 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.5 p -87.45 -36.77 17.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.199 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.32 30.16 38.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -124.1 153.51 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 t -49.82 112.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 22.4 mmmt -52.01 -46.51 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.85 23.78 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CD2' HG21 ' A' ' 45' ' ' VAL . 3.5 p90 -164.65 151.44 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.652 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.81 -143.86 3.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.652 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 8.3 m-85 -152.7 156.03 38.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.856 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 36' ' ' PHE . 75.3 t -125.38 110.47 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.52 137.03 39.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.524 ' CZ ' HG12 ' A' ' 59' ' ' VAL . 86.2 m-85 -127.26 157.34 40.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -58.09 -36.19 72.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.6 m -158.93 156.92 30.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' HG2' ' C ' ' A' ' 15' ' ' SER . 16.5 mt-10 -47.39 -40.55 17.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -53.28 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.82 -42.11 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.74 -53.89 53.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -54.53 -57.88 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.4 -28.84 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.71 -27.94 26.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 19.4 ttpp -66.37 -46.9 75.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 12.3 mt-10 -59.97 -36.82 77.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.44 -52.52 57.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.412 ' C ' HD13 ' A' ' 86' ' ' LEU . 50.5 mmm -87.75 6.87 32.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 13.7 pt-20 -39.72 -54.0 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -111.37 26.2 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.73 157.46 34.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.406 ' HB2' ' C ' ' A' ' 82' ' ' ASN . 9.6 pt-20 -130.72 116.25 17.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.6 mt -82.68 138.12 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 50.17 45.33 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.21 27.69 67.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.524 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.406 ' C ' ' HB2' ' A' ' 78' ' ' GLU . 67.7 m-20 -134.15 132.23 39.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -65.86 131.25 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.0 m -121.13 146.65 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.8 m -112.13 119.29 37.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 74' ' ' MET . 1.8 mt -94.12 125.97 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -142.84 144.97 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.519 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 74.5 m95 -64.71 117.18 7.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.8 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.964 0.412 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -58.23 -33.94 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.46 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 7.6 m -101.72 126.4 48.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD22 ' CZ3' ' A' ' 88' ' ' TRP . 15.4 mt -97.01 131.5 43.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -84.26 119.41 25.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.2 t -109.96 112.43 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -119.7 147.36 44.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.71 42.42 2.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.6 mt -105.45 169.15 8.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' THR . 19.0 t -88.54 140.59 29.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -43.06 -23.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 27' ' ' THR . 38.2 m-20 -88.93 -33.45 17.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 24' ' ' SER . 95.4 m -34.86 114.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.5 p -102.61 153.03 20.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -49.26 -27.78 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.56 -51.65 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 t -74.47 -16.79 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.9 tp -81.05 -36.84 29.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -71.58 -52.59 17.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 36' ' ' PHE . 22.0 mt-10 -54.89 -43.42 73.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -38.51 -30.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.497 ' CE1' HG22 ' A' ' 59' ' ' VAL . 17.9 m-85 -109.6 106.15 15.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.37 83.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.2 -38.15 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.9 p -47.57 161.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -111.29 -35.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -145.7 159.2 43.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.17 150.82 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -135.84 152.44 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.2 mt -136.11 130.12 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.549 HG22 ' CE2' ' A' ' 56' ' ' PHE . 2.2 m -72.12 153.35 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 p -141.97 152.99 43.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.63 158.27 35.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -93.94 -15.0 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -100.31 -52.01 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.2 p -84.77 -28.37 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.69 42.72 95.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -132.26 156.98 45.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.364 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -58.56 103.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 5.4 mtpm? -47.06 -46.41 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.15 31.02 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.549 ' CE2' HG22 ' A' ' 45' ' ' VAL . 18.0 p90 -171.96 153.65 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.65 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.09 -140.12 2.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 10.9 m-85 -152.06 158.92 43.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.497 HG22 ' CE1' ' A' ' 36' ' ' PHE . 46.2 t -128.59 117.09 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 61' ' ' PHE . 23.0 t0 -78.6 143.25 36.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.461 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 65.9 m-85 -137.23 145.0 43.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -48.36 -37.76 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.0 m -161.43 153.21 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -43.68 -44.74 6.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -49.42 -62.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -53.24 -40.76 64.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.22 -44.53 92.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -60.66 -54.89 39.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -31.71 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.77 -29.9 32.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 19.8 ttpp -65.12 -46.69 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 75' ' ' GLU . 9.2 mt-10 -61.39 -39.33 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.55 -52.32 64.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.5 mmm -89.04 8.63 28.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 72' ' ' GLU . 16.9 pt-20 -40.68 -52.98 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 75' ' ' GLU . 2.9 p30 -111.33 25.68 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.28 161.84 43.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -134.31 116.36 15.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.0 mt -85.11 134.5 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.07 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 55.67 38.6 30.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.6 20.32 71.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -126.99 133.98 50.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -66.33 128.06 34.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.2 m -116.19 147.91 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.4 m -113.85 116.25 29.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mt -91.58 125.39 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.3 141.71 32.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.494 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 52.8 m95 -61.59 106.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.44 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 2.2 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -56.07 -33.27 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 11.9 m -99.59 129.96 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.545 HD22 ' CE3' ' A' ' 88' ' ' TRP . 12.4 mt -101.04 134.42 44.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -86.35 119.81 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.9 t -108.56 118.91 57.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -125.11 152.06 44.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.54 31.05 7.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.445 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.32 177.14 6.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.323 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 27' ' ' THR . 33.2 t -102.48 140.78 36.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -42.36 -23.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 24' ' ' SER . 14.1 m-20 -94.23 -31.07 14.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 24' ' ' SER . 53.4 m -39.92 110.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.9 p -92.33 158.69 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 44' ' ' ILE . 22.0 mt-10 -55.44 -27.83 50.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -60.46 -49.34 77.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 32' ' ' LEU . 5.2 t -72.63 -20.57 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' N ' HG23 ' A' ' 31' ' ' THR . 51.4 tp -76.54 -39.51 52.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 13.4 tttt -69.12 -56.97 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 36' ' ' PHE . 7.1 mm-40 -49.88 -46.7 51.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' GLU . 21.3 m -35.27 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 34' ' ' GLU . 19.2 m-85 -106.78 112.68 25.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -74.27 93.63 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.24 -38.39 1.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -42.95 164.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.34 -37.11 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -155.02 171.08 20.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -146.82 157.67 43.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -141.59 148.99 40.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.468 ' N ' ' HG2' ' A' ' 29' ' ' GLU . 23.3 mt -130.62 134.67 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.568 HG21 ' CE2' ' A' ' 56' ' ' PHE . 1.4 m -79.69 156.35 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.7 p -140.31 154.59 46.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -75.17 164.41 26.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -94.72 -31.21 13.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.64 -58.43 2.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.9 p -77.14 -32.27 56.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.1 45.43 82.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 t -138.15 162.43 34.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -53.56 108.01 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 29.6 mtmt -53.73 -40.03 65.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.47 27.77 0.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.503 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 45' ' ' VAL . 12.9 p90 -173.7 155.31 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.634 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.83 -132.47 1.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 38.4 m-85 -160.73 141.65 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.493 HG13 ' CE2' ' A' ' 61' ' ' PHE . 48.1 t -109.01 111.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.64 133.82 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.493 ' CE2' HG13 ' A' ' 59' ' ' VAL . 40.2 m-85 -121.64 160.39 24.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.07 -24.71 65.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 m -162.08 164.33 28.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -64.74 -42.03 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.0 -52.94 63.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.6 -37.61 81.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.96 -35.9 79.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -69.92 -55.01 10.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.23 -27.85 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.88 -21.57 31.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.425 ' HE3' ' NE1' ' A' ' 88' ' ' TRP . 1.1 ttpm? -73.79 -43.92 57.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.83 -31.2 70.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.4 -44.69 57.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.448 ' CB ' HD12 ' A' ' 86' ' ' LEU . 43.9 mmm -96.19 17.1 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.1 pt-20 -51.67 -50.4 60.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 22.2 p-10 -112.84 16.89 19.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.3 162.87 53.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -135.41 117.54 15.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.5 mt -85.4 137.67 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 48.69 49.52 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.94 26.81 61.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -132.8 132.53 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -68.62 131.67 45.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.9 m -122.47 154.92 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 100.0 m -123.21 117.93 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.448 HD12 ' CB ' ' A' ' 74' ' ' MET . 1.8 mt -89.68 126.88 35.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -141.91 135.15 29.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.545 ' CE3' HD22 ' A' ' 18' ' ' LEU . 67.5 m95 -57.56 102.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 4.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.937 0.398 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -73.01 -29.48 63.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.1 m -103.57 129.53 50.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.3 mt -95.73 136.91 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 75.5 t80 -90.1 118.13 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -107.81 115.07 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.468 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 23.8 pttt -123.43 143.08 50.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.94 38.2 2.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.427 ' CD1' HG21 ' A' ' 27' ' ' THR . 80.1 mt -100.12 161.79 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 27' ' ' THR . 7.4 t -83.33 140.71 32.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -41.91 -24.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 27.8 m-20 -85.62 -36.29 20.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 24' ' ' SER . 93.5 m -35.6 120.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.425 ' C ' HD11 ' A' ' 44' ' ' ILE . 46.9 p -108.57 158.69 17.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -56.03 -23.29 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -66.5 -53.04 39.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 32' ' ' LEU . 1.4 t -70.4 -31.98 69.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.407 ' N ' HG22 ' A' ' 31' ' ' THR . 21.6 tp -67.53 -37.96 83.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -67.95 -53.76 23.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.92 -39.58 81.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -38.47 -34.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CE1' HG22 ' A' ' 59' ' ' VAL . 28.3 m-85 -105.69 102.07 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.42 90.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.98 -36.84 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 60.3 p -46.29 162.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.38 -31.07 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -152.49 168.76 24.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.76 153.96 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -140.14 156.47 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.425 HD11 ' C ' ' A' ' 28' ' ' THR . 16.1 mt -136.22 129.81 47.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.556 HG22 ' CZ ' ' A' ' 56' ' ' PHE . 8.9 m -73.65 151.98 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.7 p -140.17 156.06 46.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -77.77 153.88 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.811 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.21 -21.29 23.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -89.87 -58.16 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.2 p -77.55 -34.77 53.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.06 40.53 50.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 t -132.17 175.06 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -69.61 115.61 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -61.71 -48.13 82.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.77 33.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 45' ' ' VAL . 39.3 p90 -174.42 151.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.886 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.95 -154.68 6.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -138.91 142.53 38.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.514 HG22 ' CE1' ' A' ' 36' ' ' PHE . 51.8 t -112.69 111.71 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.69 140.27 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.455 ' CE2' ' CG1' ' A' ' 59' ' ' VAL . 63.3 m-85 -133.37 144.99 49.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -45.46 -31.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.2 m -165.88 162.25 18.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -49.74 -41.71 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -54.29 -62.17 1.83 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -46.64 -43.72 17.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.45 80.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -56.67 -51.74 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.09 -28.39 4.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.053 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.21 -29.21 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 22.3 ttpp -67.49 -45.57 75.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.85 -34.07 72.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.89 -58.15 3.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.459 ' CB ' HD13 ' A' ' 86' ' ' LEU . 63.8 mmm -77.09 6.31 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 15.5 pt-20 -43.53 -44.42 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 63.7 m-20 -119.44 20.84 12.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -75.0 162.76 53.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.64 117.8 13.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.863 0.363 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.4 ' CG2' HG21 ' A' ' 31' ' ' THR . 16.5 mt -88.34 140.25 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.2 t0 52.66 41.04 31.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.49 23.11 68.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -130.93 134.96 47.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.388 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -65.93 136.06 55.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.7 m -123.63 146.73 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -115.2 117.56 30.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 71' ' ' LYS . 2.1 mt -93.27 121.19 34.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.38 137.48 40.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.467 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 66.6 m95 -57.75 118.0 4.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.872 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -83.81 -33.59 24.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.434 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 14.5 m -98.43 124.3 43.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.2 mt -92.48 144.04 25.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -97.31 114.24 25.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.8 t -104.78 113.78 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -122.71 139.38 54.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.47 34.53 2.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.454 HD11 ' CD1' ' A' ' 32' ' ' LEU . 67.6 mt -97.12 170.24 9.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.347 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' THR . 21.4 t -89.61 140.71 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -44.14 -22.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 24' ' ' SER . 29.9 t70 -92.28 -30.8 15.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 24' ' ' SER . 97.2 m -38.88 116.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.41 ' C ' HD13 ' A' ' 44' ' ' ILE . 55.6 p -98.37 162.95 12.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.59 -22.68 63.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.96 -48.74 67.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.5 t -75.38 -20.71 58.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' CD1' HD11 ' A' ' 23' ' ' LEU . 53.8 tp -78.31 -36.27 46.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -71.43 -54.87 9.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' SER . 9.1 mm-40 -50.61 -44.3 57.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' GLU . 48.9 m -37.6 -36.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CE1' HG21 ' A' ' 59' ' ' VAL . 17.7 m-85 -102.95 102.7 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -67.23 99.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.73 -36.23 2.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.551 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 48.4 p -44.04 167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.939 0.399 . . . . 0.0 110.848 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.5 m -109.88 -39.59 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -154.31 170.85 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.99 160.74 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -145.85 136.53 24.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.468 HG21 ' N ' ' A' ' 45' ' ' VAL . 70.4 mt -117.99 137.52 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.581 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 15.2 m -85.76 154.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.4 p -135.96 169.05 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.53 155.93 24.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -94.68 -14.04 25.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -99.11 -41.24 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.0 p -98.45 -20.79 16.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.09 29.33 74.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -120.2 162.29 19.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.9 m -64.6 117.38 7.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -61.84 -51.6 67.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.32 37.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CE2' ' CG2' ' A' ' 45' ' ' VAL . 35.0 p90 -174.96 158.65 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.634 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -159.16 -133.24 1.48 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 37.7 m-85 -160.95 142.91 12.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.56 HG13 ' CE2' ' A' ' 61' ' ' PHE . 66.9 t -109.82 111.66 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.65 144.01 31.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.56 ' CE2' HG13 ' A' ' 59' ' ' VAL . 59.8 m-85 -131.78 172.27 12.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -84.63 -23.59 29.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' GLU . 67.5 m -164.67 135.12 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' SER . 30.8 mp0 -37.61 -42.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 7.7 pt-20 -46.53 -50.11 17.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.509 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 9.8 m-20 -68.8 -38.1 79.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.2 -34.66 76.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -75.67 -55.27 5.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.69 -35.42 55.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.34 -22.44 51.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 25.1 ttpp -73.28 -50.52 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 75' ' ' GLU . 17.9 mt-10 -54.92 -28.19 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.56 -45.43 25.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.437 ' CB ' HD13 ' A' ' 86' ' ' LEU . 48.9 mmm -93.31 12.43 24.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 72' ' ' GLU . 12.6 pt-20 -51.04 -43.58 60.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -118.06 22.84 11.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.47 159.51 40.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -131.53 119.22 21.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.8 mt -87.61 133.88 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 55.58 41.71 30.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.05 18.61 67.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.46 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -125.83 131.31 52.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -65.52 132.58 49.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.5 m -121.53 147.55 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.2 m -115.72 112.55 22.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.437 HD13 ' CB ' ' A' ' 74' ' ' MET . 2.4 mt -88.06 126.25 35.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -139.45 141.34 37.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.511 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 61.2 m95 -60.52 111.05 1.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 179.881 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.416 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 3.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.928 0.394 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -69.76 -31.29 69.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 4.1 m -101.69 121.61 42.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.454 HD21 ' CZ3' ' A' ' 88' ' ' TRP . 21.2 mt -93.59 132.24 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -84.45 121.33 27.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.2 t -110.3 114.08 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -122.2 142.65 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.33 30.5 4.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.9 mt -90.81 174.77 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.7 t -97.79 140.67 31.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -43.21 -23.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.9 m-20 -93.04 -30.78 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' SER . 55.5 m -41.44 112.01 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.417 ' C ' HD12 ' A' ' 44' ' ' ILE . 52.3 p -94.16 164.77 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -62.7 -21.51 65.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.68 -49.64 57.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 t -76.05 -16.75 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.9 tp -82.67 -35.61 26.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.951 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -70.22 -57.27 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -47.81 -43.78 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 m -40.4 -32.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CE1' HG21 ' A' ' 59' ' ' VAL . 26.9 m-85 -106.55 103.3 12.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.03 109.28 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.81 -42.6 1.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.4 p -41.7 159.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -101.63 -34.06 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 11.5 ptt180 -156.86 167.07 31.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.98 153.04 42.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -137.46 152.08 49.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.417 HD12 ' C ' ' A' ' 28' ' ' THR . 19.1 mt -134.93 134.77 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.568 HG23 ' CE2' ' A' ' 56' ' ' PHE . 1.8 m -76.44 156.1 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.0 p -140.03 152.07 45.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.77 152.76 39.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -92.72 -9.4 40.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -102.18 -53.13 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.9 p -88.14 -24.49 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.94 33.82 80.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -123.86 156.08 36.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 m -56.24 107.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 45' ' ' VAL . 49.7 mtpt -46.43 -45.09 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.19 28.49 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CE2' HG23 ' A' ' 45' ' ' VAL . 27.9 p90 -171.03 154.88 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.549 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.54 -145.03 4.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.549 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 16.4 m-85 -150.12 139.63 21.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.564 HG21 ' CE1' ' A' ' 36' ' ' PHE . 78.1 t -112.3 117.15 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.452 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 56.3 m-20 -80.91 150.41 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.441 ' CD2' ' HA ' ' A' ' 67' ' ' ALA . 71.4 m-85 -138.72 145.84 40.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -51.59 -29.34 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.5 m -163.68 151.38 12.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -43.38 -46.04 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -51.55 -60.16 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.9 -44.74 19.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.441 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -59.38 -48.0 83.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -56.58 -49.47 74.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -26.15 27.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.49 -22.0 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 17.9 ttpp -77.27 -40.39 44.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.02 -29.35 70.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.26 -48.11 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.427 ' CB ' HD12 ' A' ' 86' ' ' LEU . 61.5 mmm -86.17 10.06 15.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -50.56 -42.17 55.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -119.65 15.12 12.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.11 161.06 54.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -133.92 118.42 17.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.0 mt -86.94 136.87 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 49.61 49.48 19.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.26 26.81 59.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.456 ' ND2' ' HB2' ' A' ' 24' ' ' SER . 54.1 m-20 -132.97 130.82 40.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -67.0 130.76 44.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.2 m -119.35 151.27 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.4 m -119.71 119.49 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 71' ' ' LYS . 1.5 mt -93.42 127.23 38.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.23 133.3 24.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.467 ' NE1' ' HE2' ' A' ' 71' ' ' LYS . 70.1 m95 -54.85 121.52 8.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.87 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.533 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 8.9 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.96 0.41 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -78.4 -34.27 48.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.411 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 18.4 m -98.34 125.95 43.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.47 HD12 ' CE1' ' A' ' 61' ' ' PHE . 11.2 mt -97.22 137.26 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 17.2 t80 -88.55 119.72 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.3 t -110.75 108.9 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -119.74 138.83 53.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.43 37.26 1.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.3 mt -99.93 175.79 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.8 t -94.88 140.62 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -43.24 -23.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' SER . 25.5 t0 -90.93 -32.15 16.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 24' ' ' SER . 59.6 m -38.35 117.08 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.0 p -100.45 157.92 16.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.469 ' N ' HD11 ' A' ' 44' ' ' ILE . 38.9 mt-10 -54.06 -27.65 33.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.37 -52.96 62.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 t -71.96 -15.71 62.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.6 tp -83.25 -35.74 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.432 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 12.1 tttt -73.41 -54.89 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' SER . 23.2 mm-40 -53.67 -45.47 70.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' GLU . 20.2 m -35.04 -36.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.446 ' CE1' ' CG2' ' A' ' 59' ' ' VAL . 18.8 m-85 -101.12 115.47 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -75.43 86.12 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.61 -39.99 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.441 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 59.7 p -43.45 159.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.52 -28.69 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -155.92 170.51 21.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -147.92 153.04 38.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -139.47 150.47 45.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.469 HD11 ' N ' ' A' ' 29' ' ' GLU . 88.8 mt -132.53 140.2 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 56' ' ' PHE . 33.9 m -83.97 154.79 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.7 p -139.71 156.21 46.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -77.74 159.24 29.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -93.58 -23.16 18.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.27 -57.99 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.3 p -77.83 -33.12 52.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.29 43.79 54.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -137.25 163.3 31.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.0 110.845 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.9 m -65.31 109.21 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -52.11 -51.7 56.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.63 35.11 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CD2' HG23 ' A' ' 45' ' ' VAL . 29.5 p90 -172.31 154.64 3.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.64 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.56 -135.98 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.538 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 28.3 m-85 -158.28 142.39 15.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.446 ' CG2' ' CE1' ' A' ' 36' ' ' PHE . 58.1 t -108.74 113.11 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.38 133.17 35.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.502 ' CG ' ' HB1' ' A' ' 67' ' ' ALA . 73.4 m-85 -121.06 165.05 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -31.87 69.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.5 m -156.91 159.96 38.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -57.58 -44.23 85.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.29 -57.83 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.57 -46.26 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.502 ' HB1' ' CG ' ' A' ' 61' ' ' PHE . . . -56.28 -42.15 77.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -63.05 -53.53 52.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.34 -26.44 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.11 -24.78 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.47 ' NZ ' ' CZ2' ' A' ' 88' ' ' TRP . 4.8 ttpm? -68.65 -46.52 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -56.91 -35.8 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.04 -46.11 62.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.453 ' CB ' HD12 ' A' ' 86' ' ' LEU . 60.7 mmm -95.05 19.24 10.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.7 pt-20 -54.26 -51.32 64.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.412 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 3.1 p30 -112.91 19.07 17.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.92 161.85 54.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -133.95 118.48 17.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.346 . . . . 0.0 110.944 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.1 mt -88.62 138.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.4 t0 51.98 43.76 30.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.34 23.61 66.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -130.89 134.01 46.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -68.11 128.14 35.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.6 149.49 18.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.4 m -118.44 116.57 26.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.453 HD12 ' CB ' ' A' ' 74' ' ' MET . 1.5 mt -89.18 125.25 34.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -140.66 134.99 31.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.533 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 66.0 m95 -59.12 129.6 42.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.837 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.425 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 2.4 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.959 0.409 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -80.7 -38.06 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.407 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 4.3 m -99.22 125.32 44.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.88 145.4 24.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -97.87 116.68 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 t -107.67 117.68 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.47 ' CG ' ' HB ' ' A' ' 85' ' ' THR . 2.5 ptmm? -122.44 147.64 46.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.47 46.75 2.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.42 HD11 ' CD1' ' A' ' 32' ' ' LEU . 95.7 mt -108.27 158.2 17.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 27' ' ' THR . 18.8 t -78.77 137.49 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -41.23 -27.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 15.3 m-20 -83.4 -36.3 24.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.4 m -34.42 121.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.081 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.44 ' C ' ' CD1' ' A' ' 44' ' ' ILE . 71.0 p -107.55 163.95 12.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -59.17 -24.49 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -66.31 -51.75 54.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 t -73.65 -18.36 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.42 ' CD1' HD11 ' A' ' 23' ' ' LEU . 43.5 tp -84.98 -32.06 23.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 11.0 tttt -73.14 -52.9 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 36' ' ' PHE . 63.9 mt-10 -57.75 -40.83 80.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 m -38.28 -29.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CE1' HG22 ' A' ' 59' ' ' VAL . 21.6 m-85 -107.23 111.46 23.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.51 79.48 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.88 -33.63 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.5 p -47.56 164.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -114.44 -30.18 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -152.46 165.98 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -146.97 151.9 37.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -142.96 147.05 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 45' ' ' VAL . 68.3 mt -127.95 134.64 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.563 HG22 ' CZ ' ' A' ' 56' ' ' PHE . 18.0 m -79.13 152.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.1 p -136.28 156.7 48.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -77.58 150.49 34.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -7.53 54.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -102.74 -50.98 3.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.8 p -89.81 -20.62 23.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.36 35.12 91.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -127.68 163.6 23.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.9 m -66.01 110.47 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 88.1 mttt -51.35 -54.21 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.31 33.56 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.563 ' CZ ' HG22 ' A' ' 45' ' ' VAL . 21.8 p90 -171.11 158.3 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.642 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.59 -142.83 3.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.8 m-85 -156.01 139.96 16.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.567 HG22 ' CE1' ' A' ' 36' ' ' PHE . 41.2 t -110.11 120.98 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.82 148.45 31.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -138.41 147.66 43.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -54.24 -27.97 38.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.7 m -167.74 159.53 11.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -50.34 -47.1 56.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -50.04 -58.75 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -54.82 -38.72 67.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.56 94.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -65.51 -55.38 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.43 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.054 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.21 -22.93 23.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.3 ttpp -75.81 -47.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -55.26 -30.83 60.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.45 -50.98 12.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.401 ' C ' HD12 ' A' ' 86' ' ' LEU . 72.5 mmm -83.55 8.04 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -46.49 -39.17 10.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -124.82 26.42 7.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.9 159.51 36.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.478 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -133.82 117.23 16.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.0 mt -86.77 137.35 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 54.69 40.43 31.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.26 22.5 69.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.528 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -130.1 136.62 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -67.61 135.08 52.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 23.4 m -122.49 146.14 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.47 ' HB ' ' CG ' ' A' ' 21' ' ' LYS . 98.9 m -112.72 114.37 26.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 74' ' ' MET . 2.5 mt -91.37 129.08 37.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.29 141.97 29.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.52 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 71.3 m95 -61.49 127.55 32.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.07 179.869 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.9 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.94 0.4 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -79.2 -39.41 33.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 18.6 m -98.03 129.56 44.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.5 mt -96.84 140.06 31.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -93.47 116.65 29.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.0 t -105.93 116.08 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -122.09 148.15 45.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.06 29.98 6.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.5 mt -93.17 170.99 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.5 t -94.73 140.66 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -42.35 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' SER . 1.2 m-20 -88.21 -34.53 17.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 24' ' ' SER . 55.4 m -39.31 112.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.8 p -96.72 157.34 15.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -53.62 -26.08 20.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -63.57 -55.53 23.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.1 t -70.02 -16.28 63.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.9 tp -82.63 -36.61 25.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 17.3 tttt -70.74 -56.53 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -51.05 -43.02 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -38.15 -36.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.562 ' CE1' HG21 ' A' ' 59' ' ' VAL . 16.2 m-85 -102.69 104.5 14.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.4 98.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.89 -41.8 1.28 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -44.38 160.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.8 m -103.21 -34.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -156.83 170.66 21.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -144.91 158.43 43.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -143.06 152.28 41.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.7 mt -133.84 143.57 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.566 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.8 m -89.23 158.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.1 p -141.73 157.97 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.9 151.29 37.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -90.64 -15.75 29.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -94.06 -56.58 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.0 p -82.44 -34.94 27.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.5 38.92 27.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.9 t -132.49 143.93 50.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.7 m -48.06 110.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HD2' ' CZ ' ' A' ' 56' ' ' PHE . 59.6 mttt -51.48 -46.69 63.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.46 29.12 0.39 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CD2' HG22 ' A' ' 45' ' ' VAL . 1.8 p90 -164.93 149.32 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -151.25 -134.33 2.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.487 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 43.3 m-85 -158.63 158.54 34.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.924 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.564 HG11 ' CE2' ' A' ' 61' ' ' PHE . 40.3 t -124.17 112.08 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.22 126.71 31.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.564 ' CE2' HG11 ' A' ' 59' ' ' VAL . 49.2 m-85 -116.78 159.84 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -66.5 -32.07 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.6 m -162.8 150.79 13.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.781 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' HG2' ' C ' ' A' ' 15' ' ' SER . 18.0 mt-10 -42.36 -53.15 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.23 -62.64 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.4 -39.3 56.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.509 ' HB1' ' CD2' ' A' ' 61' ' ' PHE . . . -60.57 -51.52 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -56.86 -54.82 42.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.11 -30.73 6.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.7 -26.9 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.518 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.7 ttpp -67.76 -47.88 67.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -59.27 -28.88 67.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.21 -53.94 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.406 ' C ' HD13 ' A' ' 86' ' ' LEU . 61.2 mmm -86.27 10.68 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 25.9 pt-20 -45.79 -48.73 15.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 1.4 p30 -114.98 24.33 11.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.78 160.98 43.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -134.69 117.44 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.1 mt -86.86 138.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 t70 50.27 44.73 26.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.96 28.13 68.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -134.15 131.41 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.942 0.401 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -65.47 129.38 39.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.3 m -119.46 147.39 23.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 97.4 m -115.39 121.59 43.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 74' ' ' MET . 1.5 mt -95.31 129.88 42.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -144.1 143.15 31.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.518 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 60.8 m95 -62.58 104.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.874 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.544 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.1 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.438 ' CG ' ' HG3' ' A' ' 64' ' ' GLU . 9.4 mtmp? -79.9 -31.5 40.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.471 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 28.3 m -97.98 131.06 44.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.1 mt -98.93 128.97 45.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' HD1' ' CE2' ' A' ' 58' ' ' PHE . 45.5 t80 -84.28 120.69 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.54 114.42 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.2 pttp -120.53 138.78 53.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.34 36.85 2.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.3 mt -96.59 174.24 6.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' THR . 6.0 t -97.87 140.87 31.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -42.05 -23.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.0 p-10 -90.32 -34.1 15.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 24' ' ' SER . 19.9 m -34.24 120.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.8 p -105.19 159.65 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.458 ' N ' HD12 ' A' ' 44' ' ' ILE . 45.6 mt-10 -57.98 -27.89 63.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -50.55 67.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.431 HG22 ' CG2' ' A' ' 79' ' ' ILE . 1.8 t -72.92 -17.37 61.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 79' ' ' ILE . 50.4 tp -83.21 -39.82 20.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 11.9 tttm -67.4 -56.27 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' PHE . 35.6 mm-40 -50.2 -45.66 53.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' GLU . 28.3 m -36.41 -31.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CE1' HG23 ' A' ' 59' ' ' VAL . 11.7 m-85 -105.0 110.11 22.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.42 88.75 1.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.43 -40.9 0.96 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.546 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.6 p -43.73 165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m -111.35 -36.77 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -152.02 162.79 40.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.416 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -139.63 157.37 45.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -140.94 152.24 44.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 29' ' ' GLU . 86.4 mt -135.08 140.22 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.569 HG22 ' CD2' ' A' ' 56' ' ' PHE . 35.3 m -85.35 152.82 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.446 ' O ' ' NZ ' ' A' ' 54' ' ' LYS . 72.7 p -138.89 155.98 47.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' OD2' ' CG ' ' A' ' 49' ' ' GLU . 28.5 t0 -71.91 158.33 36.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -94.68 -21.68 18.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.415 ' CG ' ' OD2' ' A' ' 47' ' ' ASP . 8.5 pt-20 -86.19 -45.46 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 p -93.55 -31.68 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.71 37.17 52.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -130.78 165.77 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.884 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.4 t -60.22 115.79 3.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 46' ' ' THR . 17.4 mtmm -60.49 -50.39 73.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.81 33.04 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CD2' HG22 ' A' ' 45' ' ' VAL . 27.6 p90 -175.03 155.8 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.628 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.15 -137.67 2.32 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 20.1 m-85 -155.5 159.27 39.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.392 . . . . 0.0 110.845 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.561 HG12 ' CE2' ' A' ' 61' ' ' PHE . 71.5 t -124.4 115.15 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -77.98 142.16 38.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 59' ' ' VAL . 54.5 m-85 -134.87 152.04 51.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.499 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -57.02 -35.15 68.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.4 m -158.77 160.04 35.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.438 ' HG3' ' CG ' ' A' ' 16' ' ' LYS . 41.5 mt-10 -51.0 -46.6 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -51.2 -62.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.66 -36.57 36.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.2 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -55.26 -55.06 35.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.53 -29.66 37.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.29 -21.01 33.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.8 ttpp -73.1 -46.07 53.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.97 -31.67 70.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.26 -51.54 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.421 ' C ' HD13 ' A' ' 86' ' ' LEU . 54.8 mmm -88.92 7.79 32.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -41.32 -52.41 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -112.64 24.14 12.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.71 159.98 46.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -134.2 116.74 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.465 ' CD1' HD13 ' A' ' 32' ' ' LEU . 14.6 mt -84.01 135.48 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 t70 53.21 41.84 32.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.24 22.68 71.12 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -128.55 131.33 48.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -66.7 127.82 33.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.1 m -117.82 146.42 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.0 m -112.17 119.88 39.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 74' ' ' MET . 2.3 mt -94.1 128.81 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -143.47 144.53 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.544 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 64.2 m95 -63.19 130.19 43.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.886 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.549 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.3 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.952 0.406 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -84.06 -32.58 24.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 4.4 m -98.32 125.58 43.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.415 HD22 ' CZ3' ' A' ' 88' ' ' TRP . 13.4 mt -94.45 127.4 40.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 23.3 t80 -84.16 121.98 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 t -111.78 115.96 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -120.17 141.78 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.19 41.07 2.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.415 HD21 ' CG1' ' A' ' 84' ' ' VAL . 91.4 mt -101.08 165.55 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 27' ' ' THR . 7.4 t -86.2 140.78 29.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -45.41 -21.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 0.4 OUTLIER -92.81 -29.78 15.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.2 m -39.11 120.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.6 p -104.72 156.99 17.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -55.49 -24.32 30.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -66.37 -51.73 54.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 32' ' ' LEU . 2.4 t -73.09 -26.3 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.448 ' N ' HG22 ' A' ' 31' ' ' THR . 68.3 tp -72.67 -36.85 68.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 14.4 tttt -69.81 -65.11 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' SER . 29.2 mt-10 -41.09 -47.45 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' GLU . 34.6 m -34.69 -39.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.558 ' CE1' HG22 ' A' ' 59' ' ' VAL . 33.9 m-85 -99.99 105.85 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.7 98.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.09 -44.79 0.94 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.5 p -44.78 166.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.855 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.6 m -110.57 -30.67 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -156.57 171.49 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -149.57 153.51 37.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -136.05 147.95 48.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 45' ' ' VAL . 37.3 mt -128.7 138.92 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.568 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 1.7 m -84.77 154.59 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.5 p -140.36 154.83 46.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -72.02 156.98 38.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -94.46 -20.65 19.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -57.92 2.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.3 p -81.26 -32.95 33.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.27 41.95 36.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -132.36 146.05 51.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 t -47.38 106.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -46.94 -48.72 21.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.79 31.25 0.21 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 26.8 p90 -173.4 155.95 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.92 0.39 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.655 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.27 -131.98 1.52 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 41.5 m-85 -160.55 153.36 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.558 HG22 ' CE1' ' A' ' 36' ' ' PHE . 41.7 t -121.13 116.67 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.11 137.58 34.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.476 ' CE2' HG13 ' A' ' 59' ' ' VAL . 74.1 m-85 -129.3 157.51 41.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.448 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -59.3 -31.04 68.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.7 m -167.88 157.63 10.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.419 ' HG2' ' C ' ' A' ' 15' ' ' SER . 11.9 mt-10 -46.66 -40.81 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -54.36 -63.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.44 ' CG ' ' OD1' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -51.18 -40.06 57.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.36 -50.52 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -54.74 -55.39 30.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -28.43 20.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.45 -20.71 31.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 75' ' ' GLU . 18.8 ttpp -75.51 -46.04 34.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.57 -31.43 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.04 -52.37 19.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.462 ' CB ' HD11 ' A' ' 86' ' ' LEU . 59.9 mmm -90.92 5.91 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LYS . 21.5 pt-20 -40.61 -49.87 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 9.7 m-20 -116.29 24.59 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.3 163.95 47.24 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.425 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -131.8 122.6 26.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.8 mt -92.28 135.96 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 51.93 43.15 30.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.67 25.24 70.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -133.12 132.66 41.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -66.56 131.67 46.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.415 ' CG1' HD21 ' A' ' 23' ' ' LEU . 19.9 m -121.29 143.59 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.6 m -109.46 119.64 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 74' ' ' MET . 1.5 mt -93.13 129.53 39.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.984 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -146.52 143.06 28.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.549 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 69.8 m95 -63.94 110.45 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.059 179.894 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.468 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 35.2 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.893 0.378 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -79.25 -29.58 42.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.472 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 12.2 m -98.71 126.91 44.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.514 HD22 ' CZ3' ' A' ' 88' ' ' TRP . 12.9 mt -94.93 127.84 41.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 17.9 t80 -84.25 121.45 27.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -113.92 114.87 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.42 152.21 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.66 38.53 4.67 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -101.93 154.49 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' THR . 21.4 t -81.22 140.45 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -42.07 -23.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -84.37 -38.19 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.9 m -36.52 121.69 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.2 p -106.1 155.56 19.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -54.29 -24.79 20.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.6 -49.51 62.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 t -73.89 -18.11 60.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 79' ' ' ILE . 55.7 tp -81.76 -38.61 25.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 14.9 tttt -67.36 -56.5 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 36' ' ' PHE . 43.5 mt-10 -51.32 -42.46 61.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -39.4 -26.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 34' ' ' GLU . 13.2 m-85 -112.61 105.68 13.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -68.15 94.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.44 -44.98 0.95 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.5 p -39.42 158.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 m -103.28 -36.17 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -153.59 167.46 29.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -144.85 156.79 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 -139.77 151.15 45.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.2 mt -135.37 132.44 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.566 HG23 ' CE2' ' A' ' 56' ' ' PHE . 5.0 m -73.15 156.56 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.2 p -141.99 150.0 40.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -76.67 144.38 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.818 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.2 ptt-85 -90.12 -12.52 38.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -88.56 -36.05 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 p -110.46 -36.87 5.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.2 25.21 29.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 m -117.77 165.21 13.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.2 t -65.5 115.86 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -54.95 -49.22 71.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.82 32.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CE2' HG23 ' A' ' 45' ' ' VAL . 41.5 p90 -173.08 152.85 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.588 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.12 -145.38 4.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.6 m-85 -152.0 143.3 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.428 HG22 ' CE1' ' A' ' 36' ' ' PHE . 59.5 t -110.83 114.9 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.71 140.82 40.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.423 ' CE1' HD12 ' A' ' 18' ' ' LEU . 62.3 m-85 -132.95 152.69 51.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -57.2 -31.3 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 m -168.29 153.3 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HG2' ' C ' ' A' ' 15' ' ' SER . 29.3 mt-10 -41.9 -44.88 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -51.57 -64.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.91 -36.35 27.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.99 67.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -53.93 -55.98 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.42 -27.7 16.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.076 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.27 -25.48 27.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HE2' ' NE1' ' A' ' 88' ' ' TRP . 21.5 ttpp -70.37 -48.28 57.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 75' ' ' GLU . 17.1 mt-10 -57.45 -35.91 70.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.32 -56.92 11.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.41 ' C ' HD12 ' A' ' 86' ' ' LEU . 61.0 mmm -84.09 7.4 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 72' ' ' GLU . 15.4 pt-20 -39.59 -53.69 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -111.83 25.67 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.25 161.01 42.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -136.05 117.59 14.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.4 ' CD1' HD12 ' A' ' 32' ' ' LEU . 6.5 mt -87.89 137.59 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 t70 55.37 38.22 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.83 21.15 71.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -128.33 131.25 48.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -65.19 128.4 35.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.6 m -114.06 148.48 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.7 m -112.94 116.36 29.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.41 HD12 ' C ' ' A' ' 74' ' ' MET . 2.1 mt -91.63 129.65 37.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -148.18 145.83 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.514 ' CZ3' HD22 ' A' ' 18' ' ' LEU . 77.8 m95 -67.2 119.87 12.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.88 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.409 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 2.8 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.974 0.416 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -71.66 -27.35 63.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 7.2 m -102.46 123.72 46.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.564 HD21 ' CE3' ' A' ' 88' ' ' TRP . 11.6 mt -93.41 126.41 38.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -84.16 113.83 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.33 106.59 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.168 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -116.82 145.12 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.52 30.27 5.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.402 HD21 ' CG1' ' A' ' 84' ' ' VAL . 68.2 mt -90.98 166.66 12.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 27' ' ' THR . 13.8 t -91.6 140.66 29.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -41.71 -24.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' SER . 42.0 m-20 -86.44 -36.58 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.3 m -34.54 126.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.417 ' C ' HD11 ' A' ' 44' ' ' ILE . 36.7 p -112.27 158.35 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -57.68 -25.73 60.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.86 -50.21 65.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.451 HG23 ' CG2' ' A' ' 79' ' ' ILE . 1.7 t -74.28 -20.2 60.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -78.07 -37.6 46.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 13.4 tttm -68.81 -53.29 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' PHE . 67.9 mm-40 -57.21 -41.17 78.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.4 m -38.5 -28.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CE1' HG23 ' A' ' 59' ' ' VAL . 13.1 m-85 -110.83 109.09 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -72.24 90.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.03 -35.49 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.414 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 56.1 p -47.41 172.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.5 m -119.06 -34.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -151.88 164.35 37.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -136.28 155.77 49.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -140.53 141.5 35.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.417 HD11 ' C ' ' A' ' 28' ' ' THR . 13.2 mt -128.68 137.66 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 56' ' ' PHE . 13.1 m -84.52 153.78 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -141.74 154.6 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -74.61 158.44 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -92.71 -14.69 27.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -97.03 -56.3 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.2 p -81.5 -31.15 33.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.78 28.27 69.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -116.27 167.14 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 t -67.22 114.3 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 56' ' ' PHE . 27.0 mtpt -56.66 -42.65 79.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.35 27.13 0.77 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 45' ' ' VAL . 1.3 p90 -163.93 158.33 19.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -163.05 -145.21 4.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.1 m-85 -154.41 148.1 25.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.566 ' CG1' ' CE1' ' A' ' 61' ' ' PHE . 89.2 t -117.16 114.23 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.74 147.27 37.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 71.9 m-85 -138.59 158.53 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.93 -30.48 71.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 m -165.88 150.04 8.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' HG2' ' C ' ' A' ' 15' ' ' SER . 22.4 mt-10 -44.61 -38.58 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.53 -59.71 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -37.13 68.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.17 89.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -67.02 -49.18 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.93 -24.75 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.44 -31.53 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 23.8 ttpp -66.92 -41.01 87.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.51 -31.13 71.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.99 -49.3 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.419 ' CB ' HD12 ' A' ' 86' ' ' LEU . 56.0 mmm -87.8 14.04 9.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 14.5 pt-20 -55.27 -43.88 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 2.0 m-20 -115.79 18.32 15.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.1 162.1 51.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.405 ' HB2' ' C ' ' A' ' 82' ' ' ASN . 6.7 pt-20 -135.88 116.95 14.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.451 ' CG2' HG23 ' A' ' 31' ' ' THR . 25.1 mt -84.02 138.98 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.409 ' N ' HG23 ' A' ' 79' ' ' ILE . 25.0 t70 50.83 41.96 27.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.92 26.7 71.44 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.467 ' ND2' ' HB2' ' A' ' 24' ' ' SER . 45.7 m-20 -133.21 131.64 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -65.79 130.81 44.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.402 ' CG1' HD21 ' A' ' 23' ' ' LEU . 17.4 m -119.41 149.36 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.7 m -117.81 115.8 25.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 71' ' ' LYS . 2.4 mt -89.88 121.17 31.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -135.9 136.43 40.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.564 ' CE3' HD21 ' A' ' 18' ' ' LEU . 58.9 m95 -60.62 105.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.581 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 4.9 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -70.84 -35.13 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 28.0 m -99.99 125.02 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.2 mt -92.97 139.88 30.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 47.0 t80 -94.01 116.7 29.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t -107.61 110.6 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 3.5 pttp -118.0 148.4 42.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 37.21 4.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.486 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.4 163.6 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 27' ' ' THR . 3.6 t -85.04 138.51 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -41.36 -24.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.1 p30 -85.06 -37.42 20.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 24' ' ' SER . 30.8 m -35.65 118.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.3 p -104.22 160.05 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.451 ' N ' HD11 ' A' ' 44' ' ' ILE . 27.9 mt-10 -54.37 -28.46 43.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -60.83 -57.86 10.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 t -66.91 -19.33 65.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.8 tp -79.89 -36.77 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -71.52 -52.14 19.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.7 -41.32 77.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.5 m -38.58 -37.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.558 ' CE1' HG22 ' A' ' 59' ' ' VAL . 7.8 m-85 -103.99 107.57 18.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.23 93.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.9 -40.35 1.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.6 p -42.02 156.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.2 m -100.17 -35.66 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.5 mmt-85 -153.08 170.72 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.0 144.97 31.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -130.16 148.13 51.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 45' ' ' VAL . 71.5 mt -133.33 135.65 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 14.5 m -79.37 153.07 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.7 p -140.86 160.8 39.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.97 156.35 36.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.2 ttt85 -94.6 -15.27 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -94.5 -48.27 6.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 65.1 p -92.4 -32.77 14.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.07 35.12 39.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.7 t -122.68 163.18 20.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -66.58 117.28 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.792 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 43.7 mttm -61.23 -51.58 68.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.77 35.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 23.2 p90 -173.52 150.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.593 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.99 -143.54 3.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 15.7 m-85 -152.86 146.8 25.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 61' ' ' PHE . 62.1 t -112.62 114.65 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 61' ' ' PHE . 11.0 t0 -77.57 136.91 38.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CE2' HG11 ' A' ' 59' ' ' VAL . 68.7 m-85 -127.72 157.74 39.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.483 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.4 OUTLIER -62.66 -36.48 83.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.4 m -160.99 147.43 14.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -37.71 -51.6 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -44.29 -64.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -43.8 53.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . . . -55.34 -53.2 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -55.62 -50.27 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.32 -33.15 41.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.2 -35.72 35.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.524 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.9 ttpp -57.25 -47.78 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -61.54 -29.13 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.35 -40.73 73.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.423 ' C ' HD11 ' A' ' 86' ' ' LEU . 66.5 mmm -102.22 9.83 39.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 9.5 pt-20 -42.02 -39.68 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 4.1 t70 -123.22 17.96 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.68 160.25 52.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -133.96 116.64 15.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.437 HG21 ' N ' ' A' ' 80' ' ' ASP . 24.4 mt -87.07 138.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.437 ' N ' HG21 ' A' ' 79' ' ' ILE . 7.1 t70 53.84 39.15 30.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.88 21.9 69.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -129.32 135.61 48.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.939 0.4 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -66.68 127.79 33.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.3 m -115.27 142.33 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.1 m -109.5 112.1 24.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.423 HD11 ' C ' ' A' ' 74' ' ' MET . 2.9 mt -87.48 125.81 34.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -140.26 147.72 40.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.581 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 33.6 m95 -68.65 126.3 29.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.421 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 4.9 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.933 0.397 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -72.82 -34.37 66.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.46 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 5.3 m -98.02 135.05 40.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.558 HD21 ' CZ3' ' A' ' 88' ' ' TRP . 14.1 mt -104.31 129.91 52.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 66.4 t80 -85.72 126.51 34.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.8 t -115.67 115.65 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.55 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 27.1 pttt -119.35 144.9 46.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.3 41.72 2.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.476 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.2 mt -105.95 164.32 12.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.9 t -84.47 140.65 31.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -44.55 -22.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 24' ' ' SER . 1.1 p30 -88.96 -32.54 17.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' SER . 9.6 m -36.82 123.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 p -107.73 157.06 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -57.24 -24.33 53.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -65.39 -51.31 61.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 32' ' ' LEU . 1.4 t -71.16 -32.02 68.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' N ' HG22 ' A' ' 31' ' ' THR . 48.1 tp -67.43 -38.28 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -67.27 -54.31 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -51.36 -44.35 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 m -38.46 -31.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -108.29 107.47 18.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.32 95.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.68 -40.68 1.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.531 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.419 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 97.2 p -43.25 151.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.977 0.418 . . . . 0.0 110.787 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.411 ' C ' ' HG2' ' A' ' 41' ' ' ARG . 34.0 m -92.37 -42.76 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.411 ' HG2' ' C ' ' A' ' 40' ' ' VAL . 38.6 mmt180 -152.63 167.44 28.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.44 158.28 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -140.18 156.54 46.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.0 mt -135.97 142.67 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.558 HG21 ' CD2' ' A' ' 56' ' ' PHE . 15.6 m -84.25 152.87 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.4 p -138.04 153.69 49.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.88 158.36 30.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -17.78 22.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -92.97 -58.28 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.3 p -80.96 -26.56 36.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.97 37.03 91.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -128.19 161.86 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 t -61.84 111.77 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.401 ' HD2' ' CZ ' ' A' ' 56' ' ' PHE . 79.3 mttt -52.92 -49.2 66.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.09 35.9 0.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.558 ' CD2' HG21 ' A' ' 45' ' ' VAL . 41.4 p90 -175.09 151.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.546 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.79 -144.86 4.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.5 m-85 -148.6 156.6 42.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.75 120.92 61.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -85.6 143.41 28.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.495 ' CE2' HD13 ' A' ' 18' ' ' LEU . 67.1 m-85 -131.94 156.16 46.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -22.38 66.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 m -167.86 142.39 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.421 ' HG2' ' C ' ' A' ' 15' ' ' SER . 39.7 mt-10 -42.85 -27.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.23 -47.61 76.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -34.9 77.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' CB ' ' CD2' ' A' ' 61' ' ' PHE . . . -66.27 -39.66 89.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -68.5 -56.72 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.97 -34.36 28.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.59 -21.87 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 25.1 ttpp -73.92 -50.46 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -55.36 -25.26 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.08 -56.01 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.469 ' CB ' HD13 ' A' ' 86' ' ' LEU . 51.9 mmm -84.21 4.36 31.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' LYS . 16.8 pt-20 -37.82 -50.78 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 75' ' ' GLU . 3.8 p30 -113.32 10.83 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.818 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.22 159.97 40.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -131.38 115.92 16.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.342 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.45 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 22.2 mt -82.6 139.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 79' ' ' ILE . 7.1 p-10 46.61 48.86 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 57.43 33.17 65.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -140.46 135.87 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.66 141.56 58.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.3 m -134.63 145.69 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.145 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.5 m -110.31 121.42 45.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 74' ' ' MET . 4.3 mt -96.99 126.72 42.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -137.26 165.43 26.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.558 ' CZ3' HD21 ' A' ' 18' ' ' LEU . 51.4 m95 -88.13 125.8 34.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.8 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.948 0.404 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -71.03 -35.26 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.427 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 6.8 m -98.05 126.0 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.461 ' CD2' ' HD3' ' A' ' 71' ' ' LYS . 14.0 mt -94.79 136.93 34.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 14.3 t80 -89.22 116.82 27.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.08 107.15 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -117.02 138.26 51.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.69 38.46 1.74 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.5 mt -98.79 177.4 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 27' ' ' THR . 12.1 t -100.03 140.74 33.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -42.62 -23.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' SER . 29.3 m-20 -91.24 -32.82 15.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 24' ' ' SER . 73.6 m -38.61 122.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.9 p -104.51 160.61 14.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' N ' HD13 ' A' ' 44' ' ' ILE . 12.4 mt-10 -59.02 -26.42 64.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.14 -49.79 75.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.453 HG21 ' CG2' ' A' ' 79' ' ' ILE . 4.2 t -73.34 -19.24 61.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.3 tp -76.74 -38.5 54.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -67.15 -58.41 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' PHE . 56.5 mt-10 -53.76 -43.37 69.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' GLU . 15.1 m -34.82 -32.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CE1' HG23 ' A' ' 59' ' ' VAL . 20.3 m-85 -108.36 111.16 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.8 85.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.33 -39.38 0.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -45.97 171.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.6 m -121.4 -33.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -155.29 172.52 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.25 152.56 36.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.0 mtm105 -134.96 128.69 32.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.428 HD13 ' N ' ' A' ' 29' ' ' GLU . 72.7 mt -110.72 144.28 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.556 HG22 ' CE1' ' A' ' 56' ' ' PHE . 3.1 m -86.11 157.98 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.5 p -141.59 150.48 42.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.01 159.15 34.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -94.23 -23.65 17.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -89.84 -56.21 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 p -80.19 -31.61 38.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.37 41.82 76.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.5 t -132.06 164.85 25.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -62.34 108.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -50.53 -49.25 56.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.77 30.72 0.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.556 ' CE1' HG22 ' A' ' 45' ' ' VAL . 42.8 p90 -175.0 158.89 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.588 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.7 -132.26 1.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 53.6 m-85 -159.81 144.34 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.365 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.552 HG23 ' CE1' ' A' ' 36' ' ' PHE . 86.3 t -108.72 116.16 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -82.96 128.31 34.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.543 ' CE2' HG11 ' A' ' 59' ' ' VAL . 43.0 m-85 -119.03 157.36 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -33.07 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.4 m -162.29 149.74 13.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -40.86 -43.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -54.24 -63.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -35.34 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB1' ' CD2' ' A' ' 61' ' ' PHE . . . -65.4 -46.54 79.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -57.05 12.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.74 -27.56 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.31 -26.0 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.517 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 23.9 ttpp -68.41 -49.92 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.14 -28.11 56.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.91 -55.31 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.446 ' CB ' HD13 ' A' ' 86' ' ' LEU . 46.2 mmm -84.3 5.21 27.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' LYS . 22.6 pt-20 -40.69 -52.23 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -112.18 24.92 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.5 162.73 43.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -133.88 118.66 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.453 ' CG2' HG21 ' A' ' 31' ' ' THR . 12.6 mt -86.99 135.76 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 52.35 45.16 28.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.44 22.47 63.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -129.3 133.81 47.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.14 127.78 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.0 m -118.02 145.38 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.1 m -111.93 123.04 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.446 HD13 ' CB ' ' A' ' 74' ' ' MET . 2.3 mt -98.01 125.78 43.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -142.76 139.05 30.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.517 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 67.5 m95 -58.93 122.13 12.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.102 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 3.5 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.959 0.409 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -82.7 -33.9 27.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.461 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 16.9 m -98.31 124.65 43.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.62 128.6 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -84.18 123.13 29.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.8 t -113.41 115.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' CG ' ' HB ' ' A' ' 85' ' ' THR . 24.6 pttt -121.09 148.65 43.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.8 44.07 3.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.427 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -105.88 162.49 13.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.3 t -82.52 140.11 33.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -44.65 -22.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 24' ' ' SER . 10.2 t0 -90.0 -31.83 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' SER . 21.1 m -38.37 115.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.7 p -101.8 159.34 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -56.74 -23.42 42.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -64.92 -52.94 53.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 32' ' ' LEU . 3.2 t -71.34 -29.04 64.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.46 ' N ' HG22 ' A' ' 31' ' ' THR . 48.6 tp -68.85 -38.18 79.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -67.19 -55.4 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' SER . 74.5 mm-40 -53.29 -44.32 68.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' GLU . 3.3 m -36.12 -37.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.557 ' CE1' HG23 ' A' ' 59' ' ' VAL . 22.5 m-85 -103.48 108.76 20.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -71.42 93.99 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.63 -38.89 1.4 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.6 p -44.54 164.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.8 m -114.35 -34.61 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -148.31 162.61 39.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.45 147.34 33.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -131.38 145.99 52.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -131.37 134.78 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.559 HG23 ' CD2' ' A' ' 56' ' ' PHE . 4.8 m -75.53 157.74 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.9 p -140.19 146.15 38.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 49' ' ' GLU . 30.8 t70 -75.09 159.1 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -95.89 -25.46 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.491 ' N ' ' OD2' ' A' ' 47' ' ' ASP . 9.4 tt0 -74.87 -58.94 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.6 p -86.17 -37.17 19.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.55 33.87 15.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -126.29 172.41 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.0 m -64.01 111.25 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HB2' ' CG2' ' A' ' 45' ' ' VAL . 19.5 mmmt -50.31 -50.65 50.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.64 31.69 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CD2' HG23 ' A' ' 45' ' ' VAL . 26.0 p90 -170.99 154.27 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.599 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.52 -153.45 6.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 3.9 m-85 -148.22 138.35 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.557 HG23 ' CE1' ' A' ' 36' ' ' PHE . 92.0 t -107.85 117.3 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.43 140.85 33.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.496 ' CE1' HG12 ' A' ' 59' ' ' VAL . 79.3 m-85 -129.04 147.27 50.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -51.49 -37.62 49.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 64' ' ' GLU . 36.6 m -155.47 146.42 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 63' ' ' SER . 50.3 mt-10 -36.79 -49.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -45.48 -61.19 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.82 -42.4 58.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.42 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -59.24 -51.44 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -58.01 -57.29 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -47.69 -30.04 3.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.7 -30.48 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.51 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.2 ttpp -63.71 -47.35 81.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -61.5 -30.62 70.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.59 -49.82 61.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.406 ' C ' HD13 ' A' ' 86' ' ' LEU . 44.4 mmm -94.11 10.95 31.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -39.34 -47.56 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -118.51 20.98 12.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -76.94 159.55 49.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -132.73 116.06 16.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.9 mt -84.91 137.7 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.7 t70 51.56 44.68 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.44 26.88 64.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -133.71 132.65 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -65.15 130.92 45.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.03 143.92 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.188 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.435 ' HB ' ' CG ' ' A' ' 21' ' ' LYS . 87.8 m -110.27 114.85 28.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 74' ' ' MET . 2.4 mt -90.79 126.09 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -143.52 147.89 35.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.51 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 70.5 m95 -69.44 104.62 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.576 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.7 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.971 0.415 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -83.14 -33.11 26.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.44 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 5.0 m -98.51 122.78 42.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.9 mt -95.24 130.95 41.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -84.23 124.7 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -112.03 122.43 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -126.52 149.88 49.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.56 34.49 5.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD11 ' CD1' ' A' ' 32' ' ' LEU . 83.3 mt -98.62 157.81 16.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.356 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' THR . 10.9 t -82.56 139.51 33.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -41.41 -24.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' SER . 21.4 t0 -83.97 -37.91 21.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' SER . 18.8 m -34.89 129.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.0 p -115.97 163.28 16.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -60.93 -20.44 62.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.6 -54.89 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 t -73.15 -19.4 61.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.443 ' CD1' HD11 ' A' ' 23' ' ' LEU . 63.7 tp -78.52 -37.65 42.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HE3' ' C ' ' A' ' 40' ' ' VAL . 22.4 tttt -68.32 -57.22 6.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -47.99 -42.85 28.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.7 m -40.75 -28.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -113.17 109.73 19.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.02 108.98 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.01 -42.43 1.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.7 p -39.63 151.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.416 ' C ' ' HE3' ' A' ' 33' ' ' LYS . 3.9 m -96.73 -34.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.425 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 15.4 ptt180 -156.77 165.64 35.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.84 153.91 49.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -139.04 151.24 46.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.8 mt -136.29 132.94 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.556 HG23 ' CD2' ' A' ' 56' ' ' PHE . 12.6 m -79.48 153.61 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.4 p -140.19 155.34 46.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -74.09 161.42 30.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -93.93 -21.77 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -88.42 -56.35 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.3 p -82.29 -24.09 34.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.64 34.64 90.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -125.63 166.62 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 m -61.08 119.97 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.486 ' HD3' ' CZ ' ' A' ' 56' ' ' PHE . 29.2 mtpt -61.88 -35.7 79.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.12 20.15 1.86 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.556 ' CD2' HG23 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -158.94 153.09 23.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.631 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -153.69 -149.96 5.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 4.5 m-85 -149.42 137.01 20.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.493 HG11 ' CE1' ' A' ' 61' ' ' PHE . 58.1 t -108.42 112.47 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.425 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 3.0 m-20 -77.21 155.87 31.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.493 ' CE1' HG11 ' A' ' 59' ' ' VAL . 74.4 m-85 -145.08 144.16 30.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -47.03 -32.92 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.0 m -161.36 159.28 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG2' ' C ' ' A' ' 15' ' ' SER . 39.2 mt-10 -50.29 -37.24 35.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -58.02 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.65 -43.64 26.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -57.94 -53.01 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -52.28 -55.58 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.26 -31.48 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.09 -25.5 36.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' GLU . 24.5 ttpp -70.65 -49.86 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.75 -24.87 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.66 -44.62 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.452 ' CB ' HD12 ' A' ' 86' ' ' LEU . 55.6 mmm -98.91 13.8 31.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 71' ' ' LYS . 10.5 pt-20 -52.31 -40.05 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -122.32 25.96 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.7 163.1 40.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -136.13 118.74 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.1 mt -87.79 137.95 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 51.13 46.09 26.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.25 21.64 62.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -126.48 133.18 51.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.369 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 127.8 33.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.7 m -114.69 149.87 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.2 m -118.12 114.65 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.452 HD12 ' CB ' ' A' ' 74' ' ' MET . 2.1 mt -89.06 126.71 35.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -142.46 135.34 28.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.576 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 66.5 m95 -55.61 130.38 42.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.408 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 1.8 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -86.25 -33.0 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.46 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 8.4 m -98.72 132.0 44.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.551 HD12 ' CE1' ' A' ' 61' ' ' PHE . 13.4 mt -102.47 130.3 49.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 21' ' ' LYS . 31.4 t80 -84.2 119.64 25.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.9 t -109.25 122.18 63.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 10.2 pttt -127.13 147.97 50.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.19 37.36 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.0 mt -98.53 167.33 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 27' ' ' THR . 10.0 t -91.03 140.65 29.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -42.41 -23.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' SER . 36.8 t0 -88.85 -34.49 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 24' ' ' SER . 22.5 m -36.17 115.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.409 ' C ' HD12 ' A' ' 44' ' ' ILE . 62.3 p -101.44 158.32 16.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -54.24 -25.29 22.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -65.06 -57.76 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 32' ' ' LEU . 3.7 t -65.29 -29.2 69.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' N ' HG23 ' A' ' 31' ' ' THR . 50.2 tp -70.32 -39.49 74.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -69.53 -52.03 30.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -55.44 -42.21 73.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -38.6 -36.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 59' ' ' VAL . 25.1 m-85 -98.97 110.27 22.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.27 47.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.1 27.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 97.8 p -109.8 172.83 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.398 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.79 -35.67 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.0 mtt85 -150.73 163.25 39.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.74 155.66 45.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -144.91 150.96 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 45' ' ' VAL . 12.6 mt -135.37 138.36 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.565 HG21 ' CD2' ' A' ' 56' ' ' PHE . 12.0 m -78.5 156.12 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.3 p -141.65 154.75 45.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -79.05 155.98 28.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -92.17 -16.69 25.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -92.35 -55.1 3.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -84.39 -34.09 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.85 40.67 35.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 m -132.13 166.29 22.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 t -63.84 109.43 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -51.24 -47.81 62.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.78 31.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.448 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.565 ' CD2' HG21 ' A' ' 45' ' ' VAL . 48.1 p90 -171.55 152.05 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.884 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.411 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.98 -145.14 4.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.519 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.46 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 46.9 m-85 -152.56 145.45 24.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.561 HG23 ' CE1' ' A' ' 36' ' ' PHE . 83.8 t -111.82 113.75 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.53 149.08 36.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.551 ' CE1' HD12 ' A' ' 18' ' ' LEU . 88.9 m-85 -139.49 153.33 47.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.08 -30.53 71.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.6 m -161.47 147.17 13.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.408 ' HG2' ' C ' ' A' ' 15' ' ' SER . 25.1 mt-10 -39.34 -45.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -48.93 -60.48 2.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -50.41 -44.4 55.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.34 -54.57 45.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -53.74 -57.79 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.71 -28.41 9.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.91 -21.64 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.518 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.4 ttpp -74.14 -47.24 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -57.01 -37.95 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.9 -50.68 63.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.416 ' C ' HD12 ' A' ' 86' ' ' LEU . 63.8 mmm -87.13 4.73 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.7 pt-20 -39.77 -51.04 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 13.9 t0 -115.65 27.39 9.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.69 159.56 38.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -135.17 118.24 16.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.9 mt -88.28 137.77 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 t70 52.89 39.31 28.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.79 25.0 73.01 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -130.9 130.51 43.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -66.83 127.27 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.3 m -114.92 146.95 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 85.9 m -113.43 120.48 41.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.416 HD12 ' C ' ' A' ' 74' ' ' MET . 1.2 mt -97.29 123.61 41.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.38 144.61 38.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.518 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 78.2 m95 -64.02 121.32 13.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.892 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.9 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -60.98 -38.02 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 7.9 m -97.98 128.03 44.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.09 140.77 29.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -94.14 119.9 33.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.3 t -110.74 120.57 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -126.69 147.88 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.85 29.41 6.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.468 HD11 ' CD1' ' A' ' 32' ' ' LEU . 84.9 mt -91.22 165.43 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.321 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 27' ' ' THR . 17.0 t -88.43 140.69 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -42.6 -23.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' THR . 81.2 m-20 -89.05 -33.86 16.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 24' ' ' SER . 22.5 m -34.31 121.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.1 p -106.43 157.89 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 44' ' ' ILE . 9.1 mt-10 -56.89 -25.4 56.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -64.96 -49.07 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 32' ' ' LEU . 3.7 t -77.23 -24.15 51.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.132 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 23' ' ' LEU . 58.5 tp -76.69 -33.51 58.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -72.7 -60.04 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' PHE . 8.4 mm-40 -48.61 -45.69 38.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' GLU . 18.2 m -36.4 -32.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CE1' HG23 ' A' ' 59' ' ' VAL . 18.8 m-85 -106.93 100.99 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.74 98.62 0.93 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.11 -35.43 1.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.1 p -51.06 168.74 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.5 m -117.28 -28.24 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -154.51 160.7 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.33 146.22 36.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.3 mmt-85 -131.91 151.59 51.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.468 HD12 ' N ' ' A' ' 29' ' ' GLU . 63.9 mt -134.07 132.37 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.568 HG23 ' CE2' ' A' ' 56' ' ' PHE . 5.3 m -82.38 157.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.2 p -141.54 170.47 15.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -71.87 152.62 42.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -90.99 -3.53 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -104.37 -58.2 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.9 p -90.17 -34.91 15.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.9 22.79 40.93 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 p -98.99 152.09 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 t -55.73 117.21 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -64.07 -43.83 94.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.25 32.02 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CE2' HG23 ' A' ' 45' ' ' VAL . 29.9 p90 -172.88 154.51 2.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.65 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.11 -135.26 2.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 27.1 m-85 -156.81 149.2 23.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.662 ' CG1' ' CE1' ' A' ' 61' ' ' PHE . 95.4 t -116.02 113.74 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -80.47 135.1 36.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.662 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 70.3 m-85 -127.92 145.32 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -47.79 -36.31 11.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' GLU . 19.4 m -161.99 148.21 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' SER . 17.3 mt-10 -36.12 -53.28 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -44.04 -62.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.64 -41.35 42.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.06 -50.1 75.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -54.66 -56.71 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.09 -28.1 6.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.9 -25.67 26.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 22.7 ttpp -69.38 -49.79 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -57.51 -35.69 70.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.88 -53.78 35.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.41 ' C ' HD12 ' A' ' 86' ' ' LEU . 73.6 mmm -87.38 6.34 34.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 71' ' ' LYS . 20.2 pt-20 -39.53 -50.12 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -117.22 28.54 8.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.07 162.82 40.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.76 120.4 17.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.457 HD12 ' CD2' ' A' ' 23' ' ' LEU . 20.5 mt -88.36 137.15 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t0 51.5 38.14 21.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.05 26.51 74.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.505 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -132.23 129.88 40.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -65.24 129.35 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.7 m -117.84 143.87 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.5 m -108.96 123.36 48.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.41 HD12 ' C ' ' A' ' 74' ' ' MET . 2.0 mt -99.17 127.6 45.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.1 145.23 32.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.511 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 64.2 m95 -65.64 103.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -41.51 103.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -139.67 132.84 29.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.813 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.28 135.46 1.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 p -134.81 167.45 20.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.809 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 p -136.29 140.63 43.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.82 -160.65 29.42 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -20.03 35.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 72.68 33.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.63 171.27 14.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -66.52 -50.64 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.7 p -108.09 167.2 10.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -57.83 150.76 46.78 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.548 0.689 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 179.12 3.93 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.8 t -108.54 155.66 20.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -82.54 -32.35 28.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.437 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 5.0 m -98.3 129.65 45.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.441 ' CD2' ' HD3' ' A' ' 71' ' ' LYS . 12.5 mt -97.28 129.84 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -84.88 118.95 24.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.49 112.72 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -120.6 139.77 52.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.54 36.12 2.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.7 mt -96.25 176.48 6.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 27' ' ' THR . 4.5 t -98.55 140.68 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -42.97 -23.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -90.99 -32.46 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 24' ' ' SER . 55.3 m -38.83 115.32 0.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -100.81 155.92 17.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.487 ' N ' ' CD1' ' A' ' 44' ' ' ILE . 23.0 mt-10 -50.68 -26.06 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -53.8 47.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 32' ' ' LEU . 7.6 t -68.88 -24.48 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.437 ' N ' HG22 ' A' ' 31' ' ' THR . 48.3 tp -75.63 -38.2 59.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -66.07 -61.8 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' SER . 4.1 mm-40 -48.69 -44.4 37.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' GLU . 19.5 m -35.78 -37.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 59' ' ' VAL . 29.9 m-85 -106.11 103.17 12.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.2 97.92 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.7 -35.71 1.76 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.435 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 78.6 p -49.44 165.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.2 m -109.25 -31.55 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -154.01 168.98 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.37 149.91 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -135.39 148.98 49.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.487 ' CD1' ' N ' ' A' ' 29' ' ' GLU . 53.4 mt -135.88 135.86 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.567 HG21 ' CD2' ' A' ' 56' ' ' PHE . 4.6 m -80.16 152.92 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.9 p -138.24 146.21 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -73.78 152.7 40.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -94.31 -19.49 20.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -85.79 -54.09 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.5 p -87.45 -36.77 17.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.199 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.32 30.16 38.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -124.1 153.51 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 t -49.82 112.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 22.4 mmmt -52.01 -46.51 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.85 23.78 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CD2' HG21 ' A' ' 45' ' ' VAL . 3.5 p90 -164.65 151.44 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.652 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.81 -143.86 3.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.652 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 8.3 m-85 -152.7 156.03 38.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.856 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 36' ' ' PHE . 75.3 t -125.38 110.47 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.52 137.03 39.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.524 ' CZ ' HG12 ' A' ' 59' ' ' VAL . 86.2 m-85 -127.26 157.34 40.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -58.09 -36.19 72.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.6 m -158.93 156.92 30.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' HG2' ' C ' ' A' ' 15' ' ' SER . 16.5 mt-10 -47.39 -40.55 17.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -53.28 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.82 -42.11 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.74 -53.89 53.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -54.53 -57.88 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.4 -28.84 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.71 -27.94 26.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 19.4 ttpp -66.37 -46.9 75.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 12.3 mt-10 -59.97 -36.82 77.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.44 -52.52 57.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.412 ' C ' HD13 ' A' ' 86' ' ' LEU . 50.5 mmm -87.75 6.87 32.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 13.7 pt-20 -39.72 -54.0 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -111.37 26.2 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.73 157.46 34.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.406 ' HB2' ' C ' ' A' ' 82' ' ' ASN . 9.6 pt-20 -130.72 116.25 17.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.6 mt -82.68 138.12 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 50.17 45.33 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.21 27.69 67.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.524 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.406 ' C ' ' HB2' ' A' ' 78' ' ' GLU . 67.7 m-20 -134.15 132.23 39.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -65.86 131.25 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.0 m -121.13 146.65 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.8 m -112.13 119.29 37.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 74' ' ' MET . 1.8 mt -94.12 125.97 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -142.84 144.97 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.519 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 74.5 m95 -64.71 117.18 7.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.71 91.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 28.1 tttm -132.56 139.71 35.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 90' ' ' LYS . 54.0 Cg_endo -69.73 -171.41 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -134.86 -55.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 133.05 -162.1 24.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -78.05 3.19 15.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.72 -71.34 0.17 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -168.88 69.26 0.16 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.2 m -121.14 129.35 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.16 -88.86 0.15 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.47 5.1 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 m -156.22 175.4 14.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.6 t -104.01 -58.69 1.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.466 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -80.38 -54.54 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -73.13 108.22 5.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.28 70.6 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.444 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 p -87.82 159.45 18.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -120.8 163.14 18.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.29 142.59 5.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.88 7.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.226 . . . . 0.0 112.356 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -116.39 42.79 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.59 -46.64 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.086 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -110.29 -45.48 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.4 p -155.06 142.4 19.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -59.44 145.52 81.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -172.98 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.8 m -145.3 136.28 24.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -58.23 -33.94 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.46 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 7.6 m -101.72 126.4 48.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD22 ' CZ3' ' A' ' 88' ' ' TRP . 15.4 mt -97.01 131.5 43.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -84.26 119.41 25.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.2 t -109.96 112.43 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -119.7 147.36 44.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.71 42.42 2.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.6 mt -105.45 169.15 8.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' THR . 19.0 t -88.54 140.59 29.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -43.06 -23.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 27' ' ' THR . 38.2 m-20 -88.93 -33.45 17.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 24' ' ' SER . 95.4 m -34.86 114.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.5 p -102.61 153.03 20.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -49.26 -27.78 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.56 -51.65 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 t -74.47 -16.79 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.9 tp -81.05 -36.84 29.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -71.58 -52.59 17.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 36' ' ' PHE . 22.0 mt-10 -54.89 -43.42 73.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -38.51 -30.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.497 ' CE1' HG22 ' A' ' 59' ' ' VAL . 17.9 m-85 -109.6 106.15 15.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.37 83.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.2 -38.15 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.9 p -47.57 161.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -111.29 -35.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -145.7 159.2 43.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.17 150.82 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -135.84 152.44 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.2 mt -136.11 130.12 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.549 HG22 ' CE2' ' A' ' 56' ' ' PHE . 2.2 m -72.12 153.35 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 p -141.97 152.99 43.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.63 158.27 35.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -93.94 -15.0 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -100.31 -52.01 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.2 p -84.77 -28.37 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.69 42.72 95.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -132.26 156.98 45.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.364 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -58.56 103.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 5.4 mtpm? -47.06 -46.41 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.15 31.02 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.549 ' CE2' HG22 ' A' ' 45' ' ' VAL . 18.0 p90 -171.96 153.65 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.65 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.09 -140.12 2.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 10.9 m-85 -152.06 158.92 43.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.497 HG22 ' CE1' ' A' ' 36' ' ' PHE . 46.2 t -128.59 117.09 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 61' ' ' PHE . 23.0 t0 -78.6 143.25 36.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.461 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 65.9 m-85 -137.23 145.0 43.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -48.36 -37.76 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.0 m -161.43 153.21 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -43.68 -44.74 6.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -49.42 -62.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -53.24 -40.76 64.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.22 -44.53 92.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -60.66 -54.89 39.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -31.71 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.77 -29.9 32.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 19.8 ttpp -65.12 -46.69 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 75' ' ' GLU . 9.2 mt-10 -61.39 -39.33 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.55 -52.32 64.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.5 mmm -89.04 8.63 28.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 72' ' ' GLU . 16.9 pt-20 -40.68 -52.98 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 75' ' ' GLU . 2.9 p30 -111.33 25.68 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.28 161.84 43.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -134.31 116.36 15.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.0 mt -85.11 134.5 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.07 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 55.67 38.6 30.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.6 20.32 71.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -126.99 133.98 50.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -66.33 128.06 34.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.2 m -116.19 147.91 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.4 m -113.85 116.25 29.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mt -91.58 125.39 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.3 141.71 32.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.494 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 52.8 m95 -61.59 106.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -34.3 144.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.9 mmtm -112.8 145.98 34.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 132.01 22.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.727 2.285 . . . . 0.0 112.35 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -69.12 107.7 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.68 149.35 3.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -156.13 176.55 12.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.71 -167.91 21.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.13 47.92 0.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.9 p -50.28 116.2 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.77 82.12 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 172.1 13.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 87.7 p -64.08 121.73 14.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.7 p -174.85 168.57 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.482 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -81.29 -52.41 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -102.64 -54.53 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.56 -127.13 2.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -103.97 159.62 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.853 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 p -97.25 -46.12 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.22 -157.43 24.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 150.92 68.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -80.97 164.7 22.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.22 -46.85 26.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -68.04 -46.99 69.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 t -101.91 132.72 47.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -104.12 143.0 25.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' HG2' ' CD ' ' A' ' 64' ' ' GLU . 53.1 Cg_endo -69.77 -168.74 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.349 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.44 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 2.2 m -138.35 125.22 21.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -56.07 -33.27 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 11.9 m -99.59 129.96 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.545 HD22 ' CE3' ' A' ' 88' ' ' TRP . 12.4 mt -101.04 134.42 44.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -86.35 119.81 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.9 t -108.56 118.91 57.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -125.11 152.06 44.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.54 31.05 7.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.445 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.32 177.14 6.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.323 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 27' ' ' THR . 33.2 t -102.48 140.78 36.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -42.36 -23.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 24' ' ' SER . 14.1 m-20 -94.23 -31.07 14.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 24' ' ' SER . 53.4 m -39.92 110.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.9 p -92.33 158.69 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 44' ' ' ILE . 22.0 mt-10 -55.44 -27.83 50.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -60.46 -49.34 77.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 32' ' ' LEU . 5.2 t -72.63 -20.57 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' N ' HG23 ' A' ' 31' ' ' THR . 51.4 tp -76.54 -39.51 52.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 13.4 tttt -69.12 -56.97 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 36' ' ' PHE . 7.1 mm-40 -49.88 -46.7 51.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' GLU . 21.3 m -35.27 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 34' ' ' GLU . 19.2 m-85 -106.78 112.68 25.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -74.27 93.63 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.24 -38.39 1.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -42.95 164.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.34 -37.11 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -155.02 171.08 20.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -146.82 157.67 43.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -141.59 148.99 40.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.468 ' N ' ' HG2' ' A' ' 29' ' ' GLU . 23.3 mt -130.62 134.67 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.568 HG21 ' CE2' ' A' ' 56' ' ' PHE . 1.4 m -79.69 156.35 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.7 p -140.31 154.59 46.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -75.17 164.41 26.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -94.72 -31.21 13.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.64 -58.43 2.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.9 p -77.14 -32.27 56.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.1 45.43 82.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 t -138.15 162.43 34.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -53.56 108.01 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 29.6 mtmt -53.73 -40.03 65.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.47 27.77 0.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.503 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 45' ' ' VAL . 12.9 p90 -173.7 155.31 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.634 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.83 -132.47 1.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 38.4 m-85 -160.73 141.65 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.493 HG13 ' CE2' ' A' ' 61' ' ' PHE . 48.1 t -109.01 111.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.64 133.82 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.493 ' CE2' HG13 ' A' ' 59' ' ' VAL . 40.2 m-85 -121.64 160.39 24.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.07 -24.71 65.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 m -162.08 164.33 28.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' CD ' ' HG2' ' A' ' 14' ' ' PRO . 21.1 mt-10 -64.74 -42.03 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.0 -52.94 63.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.6 -37.61 81.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.96 -35.9 79.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -69.92 -55.01 10.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.23 -27.85 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.88 -21.57 31.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.425 ' HE3' ' NE1' ' A' ' 88' ' ' TRP . 1.1 ttpm? -73.79 -43.92 57.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.83 -31.2 70.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.4 -44.69 57.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.448 ' CB ' HD12 ' A' ' 86' ' ' LEU . 43.9 mmm -96.19 17.1 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.1 pt-20 -51.67 -50.4 60.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 22.2 p-10 -112.84 16.89 19.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.3 162.87 53.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -135.41 117.54 15.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.5 mt -85.4 137.67 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 48.69 49.52 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.94 26.81 61.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -132.8 132.53 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -68.62 131.67 45.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.9 m -122.47 154.92 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 100.0 m -123.21 117.93 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.448 HD12 ' CB ' ' A' ' 74' ' ' MET . 1.8 mt -89.68 126.88 35.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -141.91 135.15 29.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.545 ' CE3' HD22 ' A' ' 18' ' ' LEU . 67.5 m95 -57.56 102.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -33.92 105.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.401 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 6.9 ttmt -109.94 139.2 21.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 90' ' ' LYS . 53.9 Cg_endo -69.72 120.65 7.41 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -106.28 117.6 34.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.22 96.81 2.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.9 138.81 24.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -76.62 -153.4 5.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.18 101.32 0.38 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.536 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 98' ' ' GLY . 36.1 t -71.02 84.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.826 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' SER . . . 36.1 61.74 0.78 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 97.26 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.747 2.298 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.3 t -123.6 129.78 51.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.6 m -100.83 106.61 18.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 53.12 42.27 32.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 0.0 110.919 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -131.53 110.77 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.51 105.9 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -87.03 147.75 25.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -100.23 77.15 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.54 -156.64 25.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 138.67 38.45 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -86.74 100.86 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.72 164.06 26.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -79.25 -55.33 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.9 m -121.47 -42.94 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -144.92 148.08 37.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.99 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 4.7 t -121.52 146.43 46.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -73.01 -29.48 63.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.1 m -103.57 129.53 50.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.3 mt -95.73 136.91 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 75.5 t80 -90.1 118.13 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -107.81 115.07 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.468 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 23.8 pttt -123.43 143.08 50.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.94 38.2 2.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.427 ' CD1' HG21 ' A' ' 27' ' ' THR . 80.1 mt -100.12 161.79 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 27' ' ' THR . 7.4 t -83.33 140.71 32.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -41.91 -24.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 27.8 m-20 -85.62 -36.29 20.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 24' ' ' SER . 93.5 m -35.6 120.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.425 ' C ' HD11 ' A' ' 44' ' ' ILE . 46.9 p -108.57 158.69 17.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -56.03 -23.29 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -66.5 -53.04 39.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 32' ' ' LEU . 1.4 t -70.4 -31.98 69.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' N ' HG22 ' A' ' 31' ' ' THR . 21.6 tp -67.53 -37.96 83.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -67.95 -53.76 23.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.92 -39.58 81.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -38.47 -34.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CE1' HG22 ' A' ' 59' ' ' VAL . 28.3 m-85 -105.69 102.07 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.42 90.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.98 -36.84 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 60.3 p -46.29 162.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.38 -31.07 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -152.49 168.76 24.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.76 153.96 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -140.14 156.47 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.425 HD11 ' C ' ' A' ' 28' ' ' THR . 16.1 mt -136.22 129.81 47.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.556 HG22 ' CZ ' ' A' ' 56' ' ' PHE . 8.9 m -73.65 151.98 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.7 p -140.17 156.06 46.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -77.77 153.88 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.811 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.21 -21.29 23.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -89.87 -58.16 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.2 p -77.55 -34.77 53.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.06 40.53 50.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 t -132.17 175.06 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -69.61 115.61 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -61.71 -48.13 82.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.77 33.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 45' ' ' VAL . 39.3 p90 -174.42 151.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.886 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.95 -154.68 6.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -138.91 142.53 38.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.514 HG22 ' CE1' ' A' ' 36' ' ' PHE . 51.8 t -112.69 111.71 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.69 140.27 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.455 ' CE2' ' CG1' ' A' ' 59' ' ' VAL . 63.3 m-85 -133.37 144.99 49.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -45.46 -31.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.2 m -165.88 162.25 18.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -49.74 -41.71 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -54.29 -62.17 1.83 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -46.64 -43.72 17.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.45 80.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -56.67 -51.74 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.09 -28.39 4.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.053 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.21 -29.21 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 22.3 ttpp -67.49 -45.57 75.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.85 -34.07 72.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.89 -58.15 3.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.459 ' CB ' HD13 ' A' ' 86' ' ' LEU . 63.8 mmm -77.09 6.31 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 15.5 pt-20 -43.53 -44.42 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 63.7 m-20 -119.44 20.84 12.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -75.0 162.76 53.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.64 117.8 13.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.863 0.363 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.4 ' CG2' HG21 ' A' ' 31' ' ' THR . 16.5 mt -88.34 140.25 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.2 t0 52.66 41.04 31.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.49 23.11 68.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -130.93 134.96 47.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.388 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -65.93 136.06 55.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.7 m -123.63 146.73 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -115.2 117.56 30.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 71' ' ' LYS . 2.1 mt -93.27 121.19 34.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.38 137.48 40.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.467 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 66.6 m95 -57.75 118.0 4.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.21 97.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -84.03 152.4 62.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 135.32 30.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.648 2.232 . . . . 0.0 112.327 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -44.44 104.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.63 126.83 9.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -108.78 40.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.908 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.31 -77.22 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.537 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 45.48 -159.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.7 t -133.15 155.37 49.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.379 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.72 -171.83 22.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -14.89 36.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 m -45.89 157.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 t 66.92 42.21 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.445 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -96.85 148.29 23.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -95.31 -41.42 9.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.1 -129.03 1.01 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 p -126.75 142.43 51.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -56.11 -63.52 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.58 -176.11 19.6 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 2.89 3.15 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -84.54 -37.7 20.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ARG . . . -71.94 72.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' ALA . 56.2 mtp180 35.07 50.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 p -140.24 138.97 35.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.445 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 9.4 tt0 -82.41 141.42 45.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 13' ' ' GLN . 53.0 Cg_endo -69.79 171.72 13.98 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -106.36 152.41 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -83.81 -33.59 24.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.434 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 14.5 m -98.43 124.3 43.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.2 mt -92.48 144.04 25.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -97.31 114.24 25.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.8 t -104.78 113.78 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -122.71 139.38 54.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.47 34.53 2.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.454 HD11 ' CD1' ' A' ' 32' ' ' LEU . 67.6 mt -97.12 170.24 9.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.347 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' THR . 21.4 t -89.61 140.71 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -44.14 -22.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 24' ' ' SER . 29.9 t70 -92.28 -30.8 15.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 24' ' ' SER . 97.2 m -38.88 116.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.41 ' C ' HD13 ' A' ' 44' ' ' ILE . 55.6 p -98.37 162.95 12.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.59 -22.68 63.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.96 -48.74 67.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.5 t -75.38 -20.71 58.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' CD1' HD11 ' A' ' 23' ' ' LEU . 53.8 tp -78.31 -36.27 46.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -71.43 -54.87 9.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' SER . 9.1 mm-40 -50.61 -44.3 57.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' GLU . 48.9 m -37.6 -36.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CE1' HG21 ' A' ' 59' ' ' VAL . 17.7 m-85 -102.95 102.7 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -67.23 99.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.73 -36.23 2.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.551 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 48.4 p -44.04 167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.939 0.399 . . . . 0.0 110.848 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.5 m -109.88 -39.59 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -154.31 170.85 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.99 160.74 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -145.85 136.53 24.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.468 HG21 ' N ' ' A' ' 45' ' ' VAL . 70.4 mt -117.99 137.52 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.581 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 15.2 m -85.76 154.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.4 p -135.96 169.05 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.53 155.93 24.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -94.68 -14.04 25.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -99.11 -41.24 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.0 p -98.45 -20.79 16.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.09 29.33 74.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -120.2 162.29 19.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.9 m -64.6 117.38 7.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -61.84 -51.6 67.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.32 37.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CE2' ' CG2' ' A' ' 45' ' ' VAL . 35.0 p90 -174.96 158.65 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.634 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -159.16 -133.24 1.48 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 37.7 m-85 -160.95 142.91 12.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.56 HG13 ' CE2' ' A' ' 61' ' ' PHE . 66.9 t -109.82 111.66 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.65 144.01 31.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.56 ' CE2' HG13 ' A' ' 59' ' ' VAL . 59.8 m-85 -131.78 172.27 12.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -84.63 -23.59 29.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' GLU . 67.5 m -164.67 135.12 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' SER . 30.8 mp0 -37.61 -42.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 7.7 pt-20 -46.53 -50.11 17.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.509 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 9.8 m-20 -68.8 -38.1 79.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.2 -34.66 76.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -75.67 -55.27 5.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.69 -35.42 55.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.34 -22.44 51.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 25.1 ttpp -73.28 -50.52 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 75' ' ' GLU . 17.9 mt-10 -54.92 -28.19 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.56 -45.43 25.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.437 ' CB ' HD13 ' A' ' 86' ' ' LEU . 48.9 mmm -93.31 12.43 24.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 72' ' ' GLU . 12.6 pt-20 -51.04 -43.58 60.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -118.06 22.84 11.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.47 159.51 40.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -131.53 119.22 21.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.8 mt -87.61 133.88 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 55.58 41.71 30.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.05 18.61 67.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.46 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -125.83 131.31 52.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -65.52 132.58 49.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.5 m -121.53 147.55 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.2 m -115.72 112.55 22.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.437 HD13 ' CB ' ' A' ' 74' ' ' MET . 2.4 mt -88.06 126.25 35.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -139.45 141.34 37.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.511 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 61.2 m95 -60.52 111.05 1.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.15 162.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -74.84 143.89 78.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 99.4 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.397 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -52.27 126.03 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 164.75 95.63 0.1 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -168.41 153.52 6.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.72 161.64 20.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 163.27 -156.64 28.5 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.7 m -97.05 94.65 7.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.915 0.388 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.3 85.94 0.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -179.22 2.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.8 t -147.77 150.23 33.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -151.62 148.45 27.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -90.98 133.19 35.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 p -106.38 163.7 12.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.16 -163.28 10.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.2 p -132.74 152.69 51.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -115.98 163.84 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.77 145.63 4.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.51 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 -24.36 29.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.725 2.284 . . . . 0.0 112.294 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -46.96 -67.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.86 39.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -154.23 144.6 22.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' GLN . 1.3 t -43.63 165.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.472 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 15.4 tt0 -37.28 142.3 0.4 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.599 0.714 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 13' ' ' GLN . 53.5 Cg_endo -69.82 -166.07 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.679 2.252 . . . . 0.0 112.316 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.416 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 3.0 m -129.54 146.21 51.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -69.76 -31.29 69.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 4.1 m -101.69 121.61 42.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.454 HD21 ' CZ3' ' A' ' 88' ' ' TRP . 21.2 mt -93.59 132.24 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -84.45 121.33 27.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.2 t -110.3 114.08 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -122.2 142.65 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.33 30.5 4.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.9 mt -90.81 174.77 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.7 t -97.79 140.67 31.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -43.21 -23.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.9 m-20 -93.04 -30.78 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' SER . 55.5 m -41.44 112.01 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.417 ' C ' HD12 ' A' ' 44' ' ' ILE . 52.3 p -94.16 164.77 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -62.7 -21.51 65.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.68 -49.64 57.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 t -76.05 -16.75 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.9 tp -82.67 -35.61 26.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.951 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -70.22 -57.27 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -47.81 -43.78 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 m -40.4 -32.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CE1' HG21 ' A' ' 59' ' ' VAL . 26.9 m-85 -106.55 103.3 12.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.03 109.28 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.81 -42.6 1.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.4 p -41.7 159.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -101.63 -34.06 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 11.5 ptt180 -156.86 167.07 31.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.98 153.04 42.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -137.46 152.08 49.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.417 HD12 ' C ' ' A' ' 28' ' ' THR . 19.1 mt -134.93 134.77 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.568 HG23 ' CE2' ' A' ' 56' ' ' PHE . 1.8 m -76.44 156.1 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.0 p -140.03 152.07 45.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.77 152.76 39.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -92.72 -9.4 40.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -102.18 -53.13 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.9 p -88.14 -24.49 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.94 33.82 80.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -123.86 156.08 36.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 m -56.24 107.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 45' ' ' VAL . 49.7 mtpt -46.43 -45.09 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.19 28.49 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CE2' HG23 ' A' ' 45' ' ' VAL . 27.9 p90 -171.03 154.88 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.549 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.54 -145.03 4.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.549 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 16.4 m-85 -150.12 139.63 21.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.564 HG21 ' CE1' ' A' ' 36' ' ' PHE . 78.1 t -112.3 117.15 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.452 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 56.3 m-20 -80.91 150.41 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.441 ' CD2' ' HA ' ' A' ' 67' ' ' ALA . 71.4 m-85 -138.72 145.84 40.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -51.59 -29.34 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.5 m -163.68 151.38 12.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.468 ' OE2' ' NE2' ' A' ' 13' ' ' GLN . 19.2 mt-10 -43.38 -46.04 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -51.55 -60.16 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.9 -44.74 19.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.441 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -59.38 -48.0 83.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -56.58 -49.47 74.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -26.15 27.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.49 -22.0 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 17.9 ttpp -77.27 -40.39 44.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.02 -29.35 70.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.26 -48.11 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.427 ' CB ' HD12 ' A' ' 86' ' ' LEU . 61.5 mmm -86.17 10.06 15.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -50.56 -42.17 55.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -119.65 15.12 12.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.11 161.06 54.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -133.92 118.42 17.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.0 mt -86.94 136.87 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 49.61 49.48 19.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.26 26.81 59.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.456 ' ND2' ' HB2' ' A' ' 24' ' ' SER . 54.1 m-20 -132.97 130.82 40.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -67.0 130.76 44.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.2 m -119.35 151.27 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.4 m -119.71 119.49 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 71' ' ' LYS . 1.5 mt -93.42 127.23 38.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.23 133.3 24.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.467 ' NE1' ' HE2' ' A' ' 71' ' ' LYS . 70.1 m95 -54.85 121.52 8.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.1 102.7 2.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -64.67 137.15 97.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.581 0.705 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 110.93 2.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.61 2.207 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.05 175.48 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.36 -161.0 30.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -73.55 136.75 44.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.36 -119.29 2.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.15 45.68 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 85.9 p -162.84 170.62 17.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.74 163.09 30.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 178.38 4.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.647 2.232 . . . . 0.0 112.314 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.6 p -108.21 -45.19 3.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -47.15 134.59 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -96.62 -49.36 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 110.815 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -74.69 121.11 21.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.63 -101.24 0.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -142.44 133.66 26.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 p -63.66 152.9 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.93 166.67 52.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -23.01 31.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.262 . . . . 0.0 112.405 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -83.84 38.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.02 175.01 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -43.25 -50.7 6.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.3 m -81.11 100.33 8.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -62.62 152.09 82.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -173.38 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.533 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 8.9 t -139.08 152.63 47.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -78.4 -34.27 48.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.411 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 18.4 m -98.34 125.95 43.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.47 HD12 ' CE1' ' A' ' 61' ' ' PHE . 11.2 mt -97.22 137.26 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 17.2 t80 -88.55 119.72 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.3 t -110.75 108.9 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -119.74 138.83 53.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.43 37.26 1.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.3 mt -99.93 175.79 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.8 t -94.88 140.62 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -43.24 -23.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' SER . 25.5 t0 -90.93 -32.15 16.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 24' ' ' SER . 59.6 m -38.35 117.08 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.0 p -100.45 157.92 16.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.469 ' N ' HD11 ' A' ' 44' ' ' ILE . 38.9 mt-10 -54.06 -27.65 33.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.37 -52.96 62.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 t -71.96 -15.71 62.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.6 tp -83.25 -35.74 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 12.1 tttt -73.41 -54.89 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' SER . 23.2 mm-40 -53.67 -45.47 70.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' GLU . 20.2 m -35.04 -36.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.446 ' CE1' ' CG2' ' A' ' 59' ' ' VAL . 18.8 m-85 -101.12 115.47 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -75.43 86.12 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.61 -39.99 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.441 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 59.7 p -43.45 159.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.52 -28.69 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -155.92 170.51 21.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -147.92 153.04 38.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -139.47 150.47 45.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.469 HD11 ' N ' ' A' ' 29' ' ' GLU . 88.8 mt -132.53 140.2 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 56' ' ' PHE . 33.9 m -83.97 154.79 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.7 p -139.71 156.21 46.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -77.74 159.24 29.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -93.58 -23.16 18.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.27 -57.99 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.3 p -77.83 -33.12 52.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.29 43.79 54.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -137.25 163.3 31.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.0 110.845 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.9 m -65.31 109.21 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -52.11 -51.7 56.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.63 35.11 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CD2' HG23 ' A' ' 45' ' ' VAL . 29.5 p90 -172.31 154.64 3.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.64 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.56 -135.98 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.538 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 28.3 m-85 -158.28 142.39 15.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.446 ' CG2' ' CE1' ' A' ' 36' ' ' PHE . 58.1 t -108.74 113.11 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.38 133.17 35.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.502 ' CG ' ' HB1' ' A' ' 67' ' ' ALA . 73.4 m-85 -121.06 165.05 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -31.87 69.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.5 m -156.91 159.96 38.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -57.58 -44.23 85.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.29 -57.83 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.57 -46.26 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.502 ' HB1' ' CG ' ' A' ' 61' ' ' PHE . . . -56.28 -42.15 77.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -63.05 -53.53 52.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.34 -26.44 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.11 -24.78 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.47 ' NZ ' ' CZ2' ' A' ' 88' ' ' TRP . 4.8 ttpm? -68.65 -46.52 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -56.91 -35.8 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.04 -46.11 62.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.453 ' CB ' HD12 ' A' ' 86' ' ' LEU . 60.7 mmm -95.05 19.24 10.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.7 pt-20 -54.26 -51.32 64.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.412 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 3.1 p30 -112.91 19.07 17.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.92 161.85 54.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -133.95 118.48 17.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.346 . . . . 0.0 110.944 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.1 mt -88.62 138.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.4 t0 51.98 43.76 30.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.34 23.61 66.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -130.89 134.01 46.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -68.11 128.14 35.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.6 149.49 18.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.4 m -118.44 116.57 26.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.453 HD12 ' CB ' ' A' ' 74' ' ' MET . 1.5 mt -89.18 125.25 34.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -140.66 134.99 31.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.533 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 66.0 m95 -59.12 129.6 42.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.74 130.48 35.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 142.82 98.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 161.41 46.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -90.47 -53.7 4.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 133.74 147.7 5.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -106.26 41.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -164.47 -153.9 7.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.454 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.26 57.09 1.93 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 m -58.29 175.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.925 0.393 . . . . 0.0 110.823 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.34 77.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 161.16 47.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.4 p -54.74 124.9 17.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.7 p -77.05 126.96 31.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p -133.31 159.98 38.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p -136.12 157.74 46.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.42 -151.35 19.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -92.87 116.07 28.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 110.908 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -74.77 157.27 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.21 -160.04 25.24 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 104.15 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -55.58 166.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.45 -42.88 34.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -63.98 -39.37 93.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.1 m -109.61 91.37 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.451 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 7.1 tt0 -72.15 140.34 82.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.553 0.692 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.451 ' HD2' ' CG ' ' A' ' 13' ' ' GLN . 53.2 Cg_endo -69.77 176.59 6.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.311 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.425 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 2.4 m -139.59 158.65 43.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -80.7 -38.06 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.407 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 4.3 m -99.22 125.32 44.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.88 145.4 24.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -97.87 116.68 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 t -107.67 117.68 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.47 ' CG ' ' HB ' ' A' ' 85' ' ' THR . 2.5 ptmm? -122.44 147.64 46.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.47 46.75 2.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD11 ' CD1' ' A' ' 32' ' ' LEU . 95.7 mt -108.27 158.2 17.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 27' ' ' THR . 18.8 t -78.77 137.49 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -41.23 -27.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 15.3 m-20 -83.4 -36.3 24.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.4 m -34.42 121.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.081 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.44 ' C ' ' CD1' ' A' ' 44' ' ' ILE . 71.0 p -107.55 163.95 12.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -59.17 -24.49 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -66.31 -51.75 54.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 t -73.65 -18.36 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.42 ' CD1' HD11 ' A' ' 23' ' ' LEU . 43.5 tp -84.98 -32.06 23.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 11.0 tttt -73.14 -52.9 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 36' ' ' PHE . 63.9 mt-10 -57.75 -40.83 80.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 m -38.28 -29.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CE1' HG22 ' A' ' 59' ' ' VAL . 21.6 m-85 -107.23 111.46 23.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.51 79.48 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.88 -33.63 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.5 p -47.56 164.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -114.44 -30.18 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -152.46 165.98 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -146.97 151.9 37.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -142.96 147.05 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 45' ' ' VAL . 68.3 mt -127.95 134.64 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.563 HG22 ' CZ ' ' A' ' 56' ' ' PHE . 18.0 m -79.13 152.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.1 p -136.28 156.7 48.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -77.58 150.49 34.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -7.53 54.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -102.74 -50.98 3.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.8 p -89.81 -20.62 23.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.36 35.12 91.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -127.68 163.6 23.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.9 m -66.01 110.47 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 88.1 mttt -51.35 -54.21 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.31 33.56 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.563 ' CZ ' HG22 ' A' ' 45' ' ' VAL . 21.8 p90 -171.11 158.3 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.642 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.59 -142.83 3.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.8 m-85 -156.01 139.96 16.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.567 HG22 ' CE1' ' A' ' 36' ' ' PHE . 41.2 t -110.11 120.98 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.82 148.45 31.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -138.41 147.66 43.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -54.24 -27.97 38.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.7 m -167.74 159.53 11.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -50.34 -47.1 56.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -50.04 -58.75 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -54.82 -38.72 67.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.56 94.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -65.51 -55.38 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.43 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.054 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.21 -22.93 23.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.3 ttpp -75.81 -47.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -55.26 -30.83 60.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.45 -50.98 12.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.401 ' C ' HD12 ' A' ' 86' ' ' LEU . 72.5 mmm -83.55 8.04 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -46.49 -39.17 10.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -124.82 26.42 7.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.9 159.51 36.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.478 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -133.82 117.23 16.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.0 mt -86.77 137.35 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 54.69 40.43 31.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.26 22.5 69.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.528 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -130.1 136.62 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -67.61 135.08 52.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 23.4 m -122.49 146.14 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.47 ' HB ' ' CG ' ' A' ' 21' ' ' LYS . 98.9 m -112.72 114.37 26.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 74' ' ' MET . 2.5 mt -91.37 129.08 37.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.29 141.97 29.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.52 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 71.3 m95 -61.49 127.55 32.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.4 98.33 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.07 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -102.97 143.76 27.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.578 0.704 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 140.92 43.65 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -103.51 138.48 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.64 -168.37 31.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -46.2 -58.72 3.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 179.69 -53.92 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.6 83.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 m -124.5 -179.6 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.961 0.41 . . . . 0.0 110.82 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 141.4 -81.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 0.26 5.88 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 101' ' ' SER . 10.9 m -53.09 136.37 35.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 100' ' ' SER . 87.3 p -35.84 -46.51 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -82.63 137.65 34.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -53.88 166.45 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.11 50.49 0.8 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -64.12 124.56 21.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 p -154.64 175.68 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.75 139.46 10.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.44 ' CD ' ' HE2' ' A' ' 68' ' ' LYS . 53.7 Cg_endo -69.74 87.98 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.41 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -38.35 147.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.88 -52.96 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -61.1 -34.48 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.8 m -101.48 85.09 2.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -60.12 148.24 78.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 169.13 19.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.9 t -121.55 162.36 20.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -79.2 -39.41 33.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 18.6 m -98.03 129.56 44.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.5 mt -96.84 140.06 31.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -93.47 116.65 29.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.0 t -105.93 116.08 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -122.09 148.15 45.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.06 29.98 6.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.5 mt -93.17 170.99 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.5 t -94.73 140.66 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -42.35 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' SER . 1.2 m-20 -88.21 -34.53 17.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 24' ' ' SER . 55.4 m -39.31 112.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.8 p -96.72 157.34 15.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -53.62 -26.08 20.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -63.57 -55.53 23.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.1 t -70.02 -16.28 63.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.9 tp -82.63 -36.61 25.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 17.3 tttt -70.74 -56.53 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -51.05 -43.02 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -38.15 -36.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.562 ' CE1' HG21 ' A' ' 59' ' ' VAL . 16.2 m-85 -102.69 104.5 14.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.4 98.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.89 -41.8 1.28 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -44.38 160.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.8 m -103.21 -34.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -156.83 170.66 21.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -144.91 158.43 43.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -143.06 152.28 41.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.7 mt -133.84 143.57 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.566 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.8 m -89.23 158.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.1 p -141.73 157.97 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.9 151.29 37.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -90.64 -15.75 29.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -94.06 -56.58 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.0 p -82.44 -34.94 27.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.5 38.92 27.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.9 t -132.49 143.93 50.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.7 m -48.06 110.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HD2' ' CZ ' ' A' ' 56' ' ' PHE . 59.6 mttt -51.48 -46.69 63.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.46 29.12 0.39 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CD2' HG22 ' A' ' 45' ' ' VAL . 1.8 p90 -164.93 149.32 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -151.25 -134.33 2.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.487 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 43.3 m-85 -158.63 158.54 34.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.924 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.564 HG11 ' CE2' ' A' ' 61' ' ' PHE . 40.3 t -124.17 112.08 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.22 126.71 31.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.564 ' CE2' HG11 ' A' ' 59' ' ' VAL . 49.2 m-85 -116.78 159.84 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -66.5 -32.07 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.6 m -162.8 150.79 13.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.781 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' HG2' ' C ' ' A' ' 15' ' ' SER . 18.0 mt-10 -42.36 -53.15 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.23 -62.64 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.4 -39.3 56.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.509 ' HB1' ' CD2' ' A' ' 61' ' ' PHE . . . -60.57 -51.52 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.44 ' HE2' ' CD ' ' A' ' 8' ' ' PRO . 22.0 ttmt -56.86 -54.82 42.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.11 -30.73 6.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.7 -26.9 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.518 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.7 ttpp -67.76 -47.88 67.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -59.27 -28.88 67.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.21 -53.94 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.406 ' C ' HD13 ' A' ' 86' ' ' LEU . 61.2 mmm -86.27 10.68 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 25.9 pt-20 -45.79 -48.73 15.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 1.4 p30 -114.98 24.33 11.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.78 160.98 43.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -134.69 117.44 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.1 mt -86.86 138.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 t70 50.27 44.73 26.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.96 28.13 68.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -134.15 131.41 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.942 0.401 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -65.47 129.38 39.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.3 m -119.46 147.39 23.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 97.4 m -115.39 121.59 43.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 74' ' ' MET . 1.5 mt -95.31 129.88 42.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -144.1 143.15 31.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.518 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 60.8 m95 -62.58 104.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -37.64 118.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.435 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 13.5 ttpp -98.46 138.53 20.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 90' ' ' LYS . 53.6 Cg_endo -69.79 176.95 6.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.24 . . . . 0.0 112.345 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 -0.87 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -111.0 130.66 9.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -72.14 -54.3 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.5 140.34 12.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -147.26 83.12 0.19 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.2 m -139.86 178.99 6.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.8 93.0 0.18 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.53 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -178.06 2.15 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.749 2.299 . . . . 0.0 112.303 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -132.94 170.37 15.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m 57.1 37.94 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -146.05 157.35 43.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -147.08 150.75 35.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.16 104.94 1.9 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -95.41 118.25 31.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 m 64.1 45.19 4.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.97 150.55 39.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 9' ' ' ASN . 53.8 Cg_endo -69.79 -28.97 24.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 8' ' ' PRO . 59.7 t-20 -34.83 -46.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' SER . . . -55.71 146.88 19.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -39.35 -27.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' ALA . 5.5 m -61.44 122.98 16.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -63.94 152.28 87.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -175.26 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.544 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.1 t -113.57 151.6 31.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' CG ' ' HG3' ' A' ' 64' ' ' GLU . 9.4 mtmp? -79.9 -31.5 40.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.471 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 28.3 m -97.98 131.06 44.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.1 mt -98.93 128.97 45.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' HD1' ' CE2' ' A' ' 58' ' ' PHE . 45.5 t80 -84.28 120.69 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.54 114.42 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.2 pttp -120.53 138.78 53.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.34 36.85 2.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.3 mt -96.59 174.24 6.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' THR . 6.0 t -97.87 140.87 31.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -42.05 -23.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.0 p-10 -90.32 -34.1 15.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 24' ' ' SER . 19.9 m -34.24 120.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.8 p -105.19 159.65 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.458 ' N ' HD12 ' A' ' 44' ' ' ILE . 45.6 mt-10 -57.98 -27.89 63.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -50.55 67.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.431 HG22 ' CG2' ' A' ' 79' ' ' ILE . 1.8 t -72.92 -17.37 61.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 79' ' ' ILE . 50.4 tp -83.21 -39.82 20.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 11.9 tttm -67.4 -56.27 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' PHE . 35.6 mm-40 -50.2 -45.66 53.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' GLU . 28.3 m -36.41 -31.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CE1' HG23 ' A' ' 59' ' ' VAL . 11.7 m-85 -105.0 110.11 22.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.42 88.75 1.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.43 -40.9 0.96 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.546 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.6 p -43.73 165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m -111.35 -36.77 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -152.02 162.79 40.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.416 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -139.63 157.37 45.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -140.94 152.24 44.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 29' ' ' GLU . 86.4 mt -135.08 140.22 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.569 HG22 ' CD2' ' A' ' 56' ' ' PHE . 35.3 m -85.35 152.82 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.446 ' O ' ' NZ ' ' A' ' 54' ' ' LYS . 72.7 p -138.89 155.98 47.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' OD2' ' CG ' ' A' ' 49' ' ' GLU . 28.5 t0 -71.91 158.33 36.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -94.68 -21.68 18.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.415 ' CG ' ' OD2' ' A' ' 47' ' ' ASP . 8.5 pt-20 -86.19 -45.46 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 p -93.55 -31.68 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.71 37.17 52.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -130.78 165.77 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.884 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.4 t -60.22 115.79 3.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 46' ' ' THR . 17.4 mtmm -60.49 -50.39 73.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.81 33.04 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CD2' HG22 ' A' ' 45' ' ' VAL . 27.6 p90 -175.03 155.8 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.628 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.15 -137.67 2.32 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 20.1 m-85 -155.5 159.27 39.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.392 . . . . 0.0 110.845 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.561 HG12 ' CE2' ' A' ' 61' ' ' PHE . 71.5 t -124.4 115.15 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -77.98 142.16 38.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 59' ' ' VAL . 54.5 m-85 -134.87 152.04 51.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.499 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -57.02 -35.15 68.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.4 m -158.77 160.04 35.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.438 ' HG3' ' CG ' ' A' ' 16' ' ' LYS . 41.5 mt-10 -51.0 -46.6 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -51.2 -62.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.66 -36.57 36.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.2 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -55.26 -55.06 35.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.53 -29.66 37.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.29 -21.01 33.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.8 ttpp -73.1 -46.07 53.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.97 -31.67 70.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.26 -51.54 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.421 ' C ' HD13 ' A' ' 86' ' ' LEU . 54.8 mmm -88.92 7.79 32.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -41.32 -52.41 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -112.64 24.14 12.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.71 159.98 46.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -134.2 116.74 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.465 ' CD1' HD13 ' A' ' 32' ' ' LEU . 14.6 mt -84.01 135.48 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 t70 53.21 41.84 32.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.24 22.68 71.12 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -128.55 131.33 48.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -66.7 127.82 33.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.1 m -117.82 146.42 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.0 m -112.17 119.88 39.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 74' ' ' MET . 2.3 mt -94.1 128.81 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -143.47 144.53 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.544 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 64.2 m95 -63.19 130.19 43.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.63 84.42 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 11.8 tttp -168.29 140.63 2.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 90' ' ' LYS . 53.7 Cg_endo -69.74 169.13 19.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.345 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 169.84 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.93 135.8 4.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -138.77 177.4 7.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 76.05 176.49 41.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.53 65.66 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.3 m -90.13 145.12 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.409 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 155.56 75.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 99.56 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 0.0 112.339 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.4 m -115.24 96.06 5.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 t -168.92 161.46 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -122.81 176.38 6.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -111.95 100.73 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.45 172.64 24.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -148.48 116.88 6.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -141.28 131.25 24.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.1 -157.93 21.82 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.438 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 168.34 21.79 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -103.24 46.16 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.49 142.11 20.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 8.4 mmp_? -54.75 -53.31 56.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.816 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.3 m -82.88 150.43 26.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -40.18 153.93 0.2 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -174.33 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.549 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.3 t -141.74 163.54 32.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -84.06 -32.58 24.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 4.4 m -98.32 125.58 43.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.415 HD22 ' CZ3' ' A' ' 88' ' ' TRP . 13.4 mt -94.45 127.4 40.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 23.3 t80 -84.16 121.98 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 t -111.78 115.96 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -120.17 141.78 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.19 41.07 2.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.415 HD21 ' CG1' ' A' ' 84' ' ' VAL . 91.4 mt -101.08 165.55 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 27' ' ' THR . 7.4 t -86.2 140.78 29.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -45.41 -21.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 0.4 OUTLIER -92.81 -29.78 15.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.2 m -39.11 120.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.6 p -104.72 156.99 17.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -55.49 -24.32 30.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -66.37 -51.73 54.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 32' ' ' LEU . 2.4 t -73.09 -26.3 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.448 ' N ' HG22 ' A' ' 31' ' ' THR . 68.3 tp -72.67 -36.85 68.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 14.4 tttt -69.81 -65.11 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' SER . 29.2 mt-10 -41.09 -47.45 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' GLU . 34.6 m -34.69 -39.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.558 ' CE1' HG22 ' A' ' 59' ' ' VAL . 33.9 m-85 -99.99 105.85 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.7 98.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.09 -44.79 0.94 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.5 p -44.78 166.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.855 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.6 m -110.57 -30.67 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -156.57 171.49 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -149.57 153.51 37.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -136.05 147.95 48.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 45' ' ' VAL . 37.3 mt -128.7 138.92 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.568 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 1.7 m -84.77 154.59 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.5 p -140.36 154.83 46.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -72.02 156.98 38.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -94.46 -20.65 19.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -57.92 2.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.3 p -81.26 -32.95 33.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.27 41.95 36.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -132.36 146.05 51.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 t -47.38 106.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -46.94 -48.72 21.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.79 31.25 0.21 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 26.8 p90 -173.4 155.95 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.92 0.39 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.655 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.27 -131.98 1.52 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 41.5 m-85 -160.55 153.36 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.558 HG22 ' CE1' ' A' ' 36' ' ' PHE . 41.7 t -121.13 116.67 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.11 137.58 34.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.476 ' CE2' HG13 ' A' ' 59' ' ' VAL . 74.1 m-85 -129.3 157.51 41.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.448 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -59.3 -31.04 68.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.7 m -167.88 157.63 10.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.419 ' HG2' ' C ' ' A' ' 15' ' ' SER . 11.9 mt-10 -46.66 -40.81 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -54.36 -63.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.44 ' CG ' ' OD1' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -51.18 -40.06 57.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.36 -50.52 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -54.74 -55.39 30.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -28.43 20.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.45 -20.71 31.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 75' ' ' GLU . 18.8 ttpp -75.51 -46.04 34.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.57 -31.43 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.04 -52.37 19.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.462 ' CB ' HD11 ' A' ' 86' ' ' LEU . 59.9 mmm -90.92 5.91 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LYS . 21.5 pt-20 -40.61 -49.87 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 9.7 m-20 -116.29 24.59 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.3 163.95 47.24 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.425 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -131.8 122.6 26.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.8 mt -92.28 135.96 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 51.93 43.15 30.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.67 25.24 70.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -133.12 132.66 41.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -66.56 131.67 46.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.415 ' CG1' HD21 ' A' ' 23' ' ' LEU . 19.9 m -121.29 143.59 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.6 m -109.46 119.64 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 74' ' ' MET . 1.5 mt -93.13 129.53 39.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.984 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -146.52 143.06 28.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.549 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 69.8 m95 -63.94 110.45 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.22 121.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -72.06 144.57 87.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.573 0.701 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 168.34 21.77 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 0.0 112.337 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -74.76 169.87 17.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.83 172.8 50.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.551 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -147.66 172.76 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 161.25 68.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 45.77 -119.51 3.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.0 p -100.49 123.47 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -46.64 144.3 4.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.04 36.84 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.9 t -68.58 -64.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t -98.18 91.6 5.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -74.29 -47.73 32.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -129.43 146.0 51.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.61 113.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.512 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -110.21 148.56 31.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -118.25 176.86 5.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.58 -179.44 2.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 173.36 11.06 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.262 . . . . 0.0 112.351 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -53.59 162.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' SER . . . -61.05 131.38 50.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' ALA . 10.4 ptm180 35.44 34.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 10' ' ' ALA . 11.9 t -144.99 134.79 23.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -60.61 158.96 27.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -168.02 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.268 . . . . 0.0 112.348 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.468 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 35.2 t -127.92 150.85 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -79.25 -29.58 42.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.472 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 12.2 m -98.71 126.91 44.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.514 HD22 ' CZ3' ' A' ' 88' ' ' TRP . 12.9 mt -94.93 127.84 41.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 17.9 t80 -84.25 121.45 27.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -113.92 114.87 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.42 152.21 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.66 38.53 4.67 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -101.93 154.49 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' THR . 21.4 t -81.22 140.45 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -42.07 -23.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -84.37 -38.19 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.9 m -36.52 121.69 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.2 p -106.1 155.56 19.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -54.29 -24.79 20.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.6 -49.51 62.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 t -73.89 -18.11 60.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 79' ' ' ILE . 55.7 tp -81.76 -38.61 25.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 14.9 tttt -67.36 -56.5 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 36' ' ' PHE . 43.5 mt-10 -51.32 -42.46 61.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -39.4 -26.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 34' ' ' GLU . 13.2 m-85 -112.61 105.68 13.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -68.15 94.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.44 -44.98 0.95 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.5 p -39.42 158.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 m -103.28 -36.17 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -153.59 167.46 29.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -144.85 156.79 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 -139.77 151.15 45.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.2 mt -135.37 132.44 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.566 HG23 ' CE2' ' A' ' 56' ' ' PHE . 5.0 m -73.15 156.56 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.2 p -141.99 150.0 40.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -76.67 144.38 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.818 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.2 ptt-85 -90.12 -12.52 38.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -88.56 -36.05 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 p -110.46 -36.87 5.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.2 25.21 29.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 m -117.77 165.21 13.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.2 t -65.5 115.86 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -54.95 -49.22 71.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.82 32.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CE2' HG23 ' A' ' 45' ' ' VAL . 41.5 p90 -173.08 152.85 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.588 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.12 -145.38 4.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.6 m-85 -152.0 143.3 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.428 HG22 ' CE1' ' A' ' 36' ' ' PHE . 59.5 t -110.83 114.9 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.71 140.82 40.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.423 ' CE1' HD12 ' A' ' 18' ' ' LEU . 62.3 m-85 -132.95 152.69 51.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -57.2 -31.3 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 m -168.29 153.3 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HG2' ' C ' ' A' ' 15' ' ' SER . 29.3 mt-10 -41.9 -44.88 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -51.57 -64.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.91 -36.35 27.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.99 67.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -53.93 -55.98 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.42 -27.7 16.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.076 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.27 -25.48 27.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HE2' ' NE1' ' A' ' 88' ' ' TRP . 21.5 ttpp -70.37 -48.28 57.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 75' ' ' GLU . 17.1 mt-10 -57.45 -35.91 70.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.32 -56.92 11.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.41 ' C ' HD12 ' A' ' 86' ' ' LEU . 61.0 mmm -84.09 7.4 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 72' ' ' GLU . 15.4 pt-20 -39.59 -53.69 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -111.83 25.67 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.25 161.01 42.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -136.05 117.59 14.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.4 ' CD1' HD12 ' A' ' 32' ' ' LEU . 6.5 mt -87.89 137.59 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 t70 55.37 38.22 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.83 21.15 71.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -128.33 131.25 48.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -65.19 128.4 35.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.6 m -114.06 148.48 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.7 m -112.94 116.36 29.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.41 HD12 ' C ' ' A' ' 74' ' ' MET . 2.1 mt -91.63 129.65 37.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -148.18 145.83 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.514 ' CZ3' HD22 ' A' ' 18' ' ' LEU . 77.8 m95 -67.2 119.87 12.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.42 130.24 44.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -130.51 131.9 23.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 141.96 46.51 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.661 2.24 . . . . 0.0 112.359 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -82.71 114.69 21.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 170.51 116.94 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -144.2 172.51 12.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.39 -142.09 6.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.514 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.58 -109.73 0.24 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.8 t 71.77 42.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.381 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -140.96 82.21 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 155.51 65.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.31 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 84.7 p -91.95 103.42 15.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.3 m -140.68 120.77 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t -74.5 -43.57 55.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 m -152.72 140.28 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.37 -111.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 t -51.75 145.36 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -102.65 147.28 27.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.84 145.57 4.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -28.81 24.5 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.661 2.24 . . . . 0.0 112.318 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 10' ' ' ALA . 4.2 m-80 -66.96 -61.58 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.832 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' ASN . . . -34.47 -70.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -134.99 161.12 36.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 13' ' ' GLN . 8.9 t 60.25 55.03 3.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 36.1 tt0 -34.21 141.13 0.25 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.633 0.73 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 13' ' ' GLN . 53.7 Cg_endo -69.84 -170.8 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.409 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 2.8 p -139.09 155.77 47.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -71.66 -27.35 63.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 7.2 m -102.46 123.72 46.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.564 HD21 ' CE3' ' A' ' 88' ' ' TRP . 11.6 mt -93.41 126.41 38.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -84.16 113.83 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.33 106.59 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.168 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -116.82 145.12 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.52 30.27 5.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.402 HD21 ' CG1' ' A' ' 84' ' ' VAL . 68.2 mt -90.98 166.66 12.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 27' ' ' THR . 13.8 t -91.6 140.66 29.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -41.71 -24.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' SER . 42.0 m-20 -86.44 -36.58 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.3 m -34.54 126.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.417 ' C ' HD11 ' A' ' 44' ' ' ILE . 36.7 p -112.27 158.35 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -57.68 -25.73 60.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.86 -50.21 65.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.451 HG23 ' CG2' ' A' ' 79' ' ' ILE . 1.7 t -74.28 -20.2 60.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -78.07 -37.6 46.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 13.4 tttm -68.81 -53.29 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' PHE . 67.9 mm-40 -57.21 -41.17 78.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.4 m -38.5 -28.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CE1' HG23 ' A' ' 59' ' ' VAL . 13.1 m-85 -110.83 109.09 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -72.24 90.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.03 -35.49 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.414 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 56.1 p -47.41 172.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.5 m -119.06 -34.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -151.88 164.35 37.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -136.28 155.77 49.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -140.53 141.5 35.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.417 HD11 ' C ' ' A' ' 28' ' ' THR . 13.2 mt -128.68 137.66 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 56' ' ' PHE . 13.1 m -84.52 153.78 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -141.74 154.6 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -74.61 158.44 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -92.71 -14.69 27.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -97.03 -56.3 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.2 p -81.5 -31.15 33.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.78 28.27 69.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -116.27 167.14 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 t -67.22 114.3 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 56' ' ' PHE . 27.0 mtpt -56.66 -42.65 79.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.35 27.13 0.77 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 45' ' ' VAL . 1.3 p90 -163.93 158.33 19.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -163.05 -145.21 4.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.1 m-85 -154.41 148.1 25.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.566 ' CG1' ' CE1' ' A' ' 61' ' ' PHE . 89.2 t -117.16 114.23 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.74 147.27 37.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 71.9 m-85 -138.59 158.53 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.93 -30.48 71.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 m -165.88 150.04 8.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' HG2' ' C ' ' A' ' 15' ' ' SER . 22.4 mt-10 -44.61 -38.58 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.53 -59.71 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -37.13 68.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.17 89.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -67.02 -49.18 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.93 -24.75 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.44 -31.53 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 23.8 ttpp -66.92 -41.01 87.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.51 -31.13 71.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.99 -49.3 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.419 ' CB ' HD12 ' A' ' 86' ' ' LEU . 56.0 mmm -87.8 14.04 9.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 14.5 pt-20 -55.27 -43.88 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 2.0 m-20 -115.79 18.32 15.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.1 162.1 51.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.405 ' HB2' ' C ' ' A' ' 82' ' ' ASN . 6.7 pt-20 -135.88 116.95 14.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.451 ' CG2' HG23 ' A' ' 31' ' ' THR . 25.1 mt -84.02 138.98 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.409 ' N ' HG23 ' A' ' 79' ' ' ILE . 25.0 t70 50.83 41.96 27.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.92 26.7 71.44 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.467 ' ND2' ' HB2' ' A' ' 24' ' ' SER . 45.7 m-20 -133.21 131.64 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -65.79 130.81 44.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.402 ' CG1' HD21 ' A' ' 23' ' ' LEU . 17.4 m -119.41 149.36 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.7 m -117.81 115.8 25.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 71' ' ' LYS . 2.4 mt -89.88 121.17 31.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -135.9 136.43 40.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.564 ' CE3' HD21 ' A' ' 18' ' ' LEU . 58.9 m95 -60.62 105.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.05 123.74 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -63.35 148.78 92.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.713 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.461 ' O ' ' C ' ' A' ' 92' ' ' LYS . 53.9 Cg_endo -69.75 166.47 27.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 91' ' ' PRO . 16.1 pttt 32.78 43.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.63 -58.74 1.04 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -97.43 -62.69 1.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.46 137.93 4.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.9 74.42 0.24 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 m -42.36 164.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 129.22 -156.98 21.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 172.68 12.2 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.382 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.7 m -126.71 -44.44 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 m -70.46 -52.53 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 m -115.93 -55.06 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m -89.1 156.73 18.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.89 80.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -138.85 116.07 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.894 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -112.63 154.58 25.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.27 -157.4 30.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 80.54 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.393 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -56.16 168.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.02 -53.32 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -83.52 -57.46 3.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -58.41 117.26 4.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -94.45 154.23 40.26 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.584 0.707 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -174.64 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.581 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 4.9 t -131.22 151.71 51.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -70.84 -35.13 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 28.0 m -99.99 125.02 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.2 mt -92.97 139.88 30.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 47.0 t80 -94.01 116.7 29.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t -107.61 110.6 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 3.5 pttp -118.0 148.4 42.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 37.21 4.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.486 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.4 163.6 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 27' ' ' THR . 3.6 t -85.04 138.51 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -41.36 -24.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.1 p30 -85.06 -37.42 20.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 24' ' ' SER . 30.8 m -35.65 118.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.3 p -104.22 160.05 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.451 ' N ' HD11 ' A' ' 44' ' ' ILE . 27.9 mt-10 -54.37 -28.46 43.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -60.83 -57.86 10.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 t -66.91 -19.33 65.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.8 tp -79.89 -36.77 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -71.52 -52.14 19.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.7 -41.32 77.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.5 m -38.58 -37.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.558 ' CE1' HG22 ' A' ' 59' ' ' VAL . 7.8 m-85 -103.99 107.57 18.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.23 93.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.9 -40.35 1.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.6 p -42.02 156.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.2 m -100.17 -35.66 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.5 mmt-85 -153.08 170.72 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.0 144.97 31.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -130.16 148.13 51.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 45' ' ' VAL . 71.5 mt -133.33 135.65 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 14.5 m -79.37 153.07 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.7 p -140.86 160.8 39.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.97 156.35 36.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.2 ttt85 -94.6 -15.27 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -94.5 -48.27 6.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 65.1 p -92.4 -32.77 14.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.07 35.12 39.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.7 t -122.68 163.18 20.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -66.58 117.28 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.792 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 43.7 mttm -61.23 -51.58 68.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.77 35.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 23.2 p90 -173.52 150.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.593 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.99 -143.54 3.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 15.7 m-85 -152.86 146.8 25.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 61' ' ' PHE . 62.1 t -112.62 114.65 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 61' ' ' PHE . 11.0 t0 -77.57 136.91 38.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CE2' HG11 ' A' ' 59' ' ' VAL . 68.7 m-85 -127.72 157.74 39.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.483 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.4 OUTLIER -62.66 -36.48 83.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.4 m -160.99 147.43 14.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -37.71 -51.6 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -44.29 -64.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -43.8 53.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . . . -55.34 -53.2 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -55.62 -50.27 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.32 -33.15 41.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.2 -35.72 35.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.524 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.9 ttpp -57.25 -47.78 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -61.54 -29.13 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.35 -40.73 73.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.423 ' C ' HD11 ' A' ' 86' ' ' LEU . 66.5 mmm -102.22 9.83 39.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 9.5 pt-20 -42.02 -39.68 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 4.1 t70 -123.22 17.96 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.68 160.25 52.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -133.96 116.64 15.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.437 HG21 ' N ' ' A' ' 80' ' ' ASP . 24.4 mt -87.07 138.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.437 ' N ' HG21 ' A' ' 79' ' ' ILE . 7.1 t70 53.84 39.15 30.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.88 21.9 69.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -129.32 135.61 48.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.939 0.4 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -66.68 127.79 33.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.3 m -115.27 142.33 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.1 m -109.5 112.1 24.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.423 HD11 ' C ' ' A' ' 74' ' ' MET . 2.9 mt -87.48 125.81 34.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -140.26 147.72 40.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.581 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 33.6 m95 -68.65 126.3 29.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.95 167.18 22.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' CD ' ' HD2' ' A' ' 91' ' ' PRO . 9.5 tppt? -141.26 136.1 15.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.425 ' HD2' ' CD ' ' A' ' 90' ' ' LYS . 54.3 Cg_endo -69.68 149.26 67.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.395 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -125.61 119.72 28.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 177.11 111.66 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 44.86 29.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.63 82.81 1.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.456 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -102.36 -170.29 26.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.5 m -112.37 80.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.46 -172.62 49.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 169.15 19.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 m -79.42 123.81 27.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 t -140.56 129.51 23.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.53 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -39.53 130.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.3 p -73.69 150.37 41.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.88 155.9 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -171.69 164.39 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -143.95 130.11 19.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.21 -175.11 16.0 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -172.32 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.744 2.296 . . . . 0.0 112.281 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -139.17 175.66 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 12' ' ' SER . . . 69.74 28.41 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' ALA . 84.6 mtt180 38.06 29.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' ALA . 58.5 m -142.3 134.04 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 12' ' ' SER . 13.1 mm-40 -36.42 149.84 0.14 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.606 0.717 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -169.14 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.236 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.421 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 4.9 t -126.03 146.46 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -72.82 -34.37 66.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.46 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 5.3 m -98.02 135.05 40.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.558 HD21 ' CZ3' ' A' ' 88' ' ' TRP . 14.1 mt -104.31 129.91 52.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 66.4 t80 -85.72 126.51 34.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.8 t -115.67 115.65 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.55 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 27.1 pttt -119.35 144.9 46.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.3 41.72 2.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.476 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.2 mt -105.95 164.32 12.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.9 t -84.47 140.65 31.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -44.55 -22.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 24' ' ' SER . 1.1 p30 -88.96 -32.54 17.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' SER . 9.6 m -36.82 123.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 p -107.73 157.06 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -57.24 -24.33 53.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -65.39 -51.31 61.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 32' ' ' LEU . 1.4 t -71.16 -32.02 68.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' N ' HG22 ' A' ' 31' ' ' THR . 48.1 tp -67.43 -38.28 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -67.27 -54.31 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -51.36 -44.35 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 m -38.46 -31.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -108.29 107.47 18.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.32 95.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.68 -40.68 1.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.531 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.419 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 97.2 p -43.25 151.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.977 0.418 . . . . 0.0 110.787 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.411 ' C ' ' HG2' ' A' ' 41' ' ' ARG . 34.0 m -92.37 -42.76 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.411 ' HG2' ' C ' ' A' ' 40' ' ' VAL . 38.6 mmt180 -152.63 167.44 28.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.44 158.28 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -140.18 156.54 46.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.0 mt -135.97 142.67 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.558 HG21 ' CD2' ' A' ' 56' ' ' PHE . 15.6 m -84.25 152.87 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.4 p -138.04 153.69 49.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.88 158.36 30.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -17.78 22.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -92.97 -58.28 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.3 p -80.96 -26.56 36.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.97 37.03 91.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -128.19 161.86 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 t -61.84 111.77 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.401 ' HD2' ' CZ ' ' A' ' 56' ' ' PHE . 79.3 mttt -52.92 -49.2 66.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.09 35.9 0.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.558 ' CD2' HG21 ' A' ' 45' ' ' VAL . 41.4 p90 -175.09 151.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.546 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.79 -144.86 4.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.5 m-85 -148.6 156.6 42.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.75 120.92 61.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -85.6 143.41 28.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.495 ' CE2' HD13 ' A' ' 18' ' ' LEU . 67.1 m-85 -131.94 156.16 46.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -22.38 66.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 m -167.86 142.39 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.421 ' HG2' ' C ' ' A' ' 15' ' ' SER . 39.7 mt-10 -42.85 -27.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.23 -47.61 76.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -34.9 77.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' CB ' ' CD2' ' A' ' 61' ' ' PHE . . . -66.27 -39.66 89.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -68.5 -56.72 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.97 -34.36 28.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.59 -21.87 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 25.1 ttpp -73.92 -50.46 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -55.36 -25.26 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.08 -56.01 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.469 ' CB ' HD13 ' A' ' 86' ' ' LEU . 51.9 mmm -84.21 4.36 31.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' LYS . 16.8 pt-20 -37.82 -50.78 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 75' ' ' GLU . 3.8 p30 -113.32 10.83 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.818 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.22 159.97 40.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -131.38 115.92 16.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.342 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.45 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 22.2 mt -82.6 139.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 79' ' ' ILE . 7.1 p-10 46.61 48.86 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 57.43 33.17 65.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -140.46 135.87 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.66 141.56 58.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.3 m -134.63 145.69 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.145 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.5 m -110.31 121.42 45.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 74' ' ' MET . 4.3 mt -96.99 126.72 42.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -137.26 165.43 26.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.558 ' CZ3' HD21 ' A' ' 18' ' ' LEU . 51.4 m95 -88.13 125.8 34.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.86 155.84 38.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -159.69 150.43 15.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 110.15 2.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.71 100.69 6.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 97.94 61.55 0.9 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -87.01 49.36 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -144.86 90.27 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.39 63.73 0.39 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.444 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.4 t -174.2 161.39 3.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.967 0.413 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.21 -95.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.519 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 112.19 3.01 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.716 2.277 . . . . 0.0 112.355 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.3 t -152.09 155.5 38.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -85.69 -43.29 13.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 m -134.29 172.05 13.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -146.12 159.99 42.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.14 147.98 7.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t -120.18 -47.86 2.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.837 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -74.11 106.25 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.43 -163.6 24.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 155.3 66.18 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.329 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.93 -26.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.37 -177.2 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -87.54 -57.11 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' GLN . 3.8 t -80.99 164.66 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 12' ' ' SER . 20.3 pt20 -36.0 146.71 0.19 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -164.86 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.8 m -126.65 149.73 49.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -71.03 -35.26 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.427 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 6.8 m -98.05 126.0 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' CD2' ' HD3' ' A' ' 71' ' ' LYS . 14.0 mt -94.79 136.93 34.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 14.3 t80 -89.22 116.82 27.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.08 107.15 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -117.02 138.26 51.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.69 38.46 1.74 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.5 mt -98.79 177.4 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 27' ' ' THR . 12.1 t -100.03 140.74 33.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -42.62 -23.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' SER . 29.3 m-20 -91.24 -32.82 15.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 24' ' ' SER . 73.6 m -38.61 122.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.9 p -104.51 160.61 14.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' N ' HD13 ' A' ' 44' ' ' ILE . 12.4 mt-10 -59.02 -26.42 64.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.14 -49.79 75.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.453 HG21 ' CG2' ' A' ' 79' ' ' ILE . 4.2 t -73.34 -19.24 61.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.3 tp -76.74 -38.5 54.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -67.15 -58.41 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' PHE . 56.5 mt-10 -53.76 -43.37 69.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' GLU . 15.1 m -34.82 -32.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CE1' HG23 ' A' ' 59' ' ' VAL . 20.3 m-85 -108.36 111.16 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.8 85.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.33 -39.38 0.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -45.97 171.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.6 m -121.4 -33.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -155.29 172.52 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.25 152.56 36.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.0 mtm105 -134.96 128.69 32.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.428 HD13 ' N ' ' A' ' 29' ' ' GLU . 72.7 mt -110.72 144.28 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.556 HG22 ' CE1' ' A' ' 56' ' ' PHE . 3.1 m -86.11 157.98 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.5 p -141.59 150.48 42.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.01 159.15 34.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -94.23 -23.65 17.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -89.84 -56.21 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 p -80.19 -31.61 38.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.37 41.82 76.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.5 t -132.06 164.85 25.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -62.34 108.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -50.53 -49.25 56.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.77 30.72 0.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.556 ' CE1' HG22 ' A' ' 45' ' ' VAL . 42.8 p90 -175.0 158.89 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.588 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.7 -132.26 1.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 53.6 m-85 -159.81 144.34 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.365 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.552 HG23 ' CE1' ' A' ' 36' ' ' PHE . 86.3 t -108.72 116.16 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -82.96 128.31 34.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.543 ' CE2' HG11 ' A' ' 59' ' ' VAL . 43.0 m-85 -119.03 157.36 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -33.07 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.4 m -162.29 149.74 13.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -40.86 -43.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -54.24 -63.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -35.34 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB1' ' CD2' ' A' ' 61' ' ' PHE . . . -65.4 -46.54 79.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -57.05 12.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.74 -27.56 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.31 -26.0 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.517 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 23.9 ttpp -68.41 -49.92 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.14 -28.11 56.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.91 -55.31 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.446 ' CB ' HD13 ' A' ' 86' ' ' LEU . 46.2 mmm -84.3 5.21 27.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' LYS . 22.6 pt-20 -40.69 -52.23 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -112.18 24.92 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.5 162.73 43.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -133.88 118.66 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.453 ' CG2' HG21 ' A' ' 31' ' ' THR . 12.6 mt -86.99 135.76 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 52.35 45.16 28.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.44 22.47 63.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -129.3 133.81 47.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.14 127.78 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.0 m -118.02 145.38 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.1 m -111.93 123.04 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.446 HD13 ' CB ' ' A' ' 74' ' ' MET . 2.3 mt -98.01 125.78 43.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -142.76 139.05 30.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.517 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 67.5 m95 -58.93 122.13 12.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.03 108.12 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -105.84 125.27 33.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.543 0.687 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 95.64 0.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 92' ' ' LYS . 1.5 tmmm? -84.59 114.26 21.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.17 -81.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.509 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -104.31 130.24 52.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.85 103.42 2.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.26 -45.75 84.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.6 t -115.93 159.12 22.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.893 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.98 -96.52 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 111.24 2.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.639 2.226 . . . . 0.0 112.385 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 t -133.27 -50.66 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.1 m -77.25 118.23 19.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.4 t -87.32 133.93 33.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 2' ' ' SER . 21.1 t -34.93 96.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 139.33 149.59 5.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -116.4 142.53 46.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.893 0.378 . . . . 0.0 110.832 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -83.28 158.32 22.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.813 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.96 87.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.62 3.36 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -56.08 -45.56 79.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.29 172.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -38.7 -38.77 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t -55.58 143.42 29.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -103.57 149.21 36.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 176.32 6.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 3.5 t -112.63 160.15 18.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -82.7 -33.9 27.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.461 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 16.9 m -98.31 124.65 43.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.62 128.6 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -84.18 123.13 29.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.8 t -113.41 115.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' CG ' ' HB ' ' A' ' 85' ' ' THR . 24.6 pttt -121.09 148.65 43.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.8 44.07 3.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.427 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -105.88 162.49 13.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.3 t -82.52 140.11 33.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -44.65 -22.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 24' ' ' SER . 10.2 t0 -90.0 -31.83 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' SER . 21.1 m -38.37 115.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.7 p -101.8 159.34 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -56.74 -23.42 42.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -64.92 -52.94 53.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 32' ' ' LEU . 3.2 t -71.34 -29.04 64.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.46 ' N ' HG22 ' A' ' 31' ' ' THR . 48.6 tp -68.85 -38.18 79.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -67.19 -55.4 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' SER . 74.5 mm-40 -53.29 -44.32 68.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' GLU . 3.3 m -36.12 -37.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.557 ' CE1' HG23 ' A' ' 59' ' ' VAL . 22.5 m-85 -103.48 108.76 20.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -71.42 93.99 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.63 -38.89 1.4 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.6 p -44.54 164.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.8 m -114.35 -34.61 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -148.31 162.61 39.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.45 147.34 33.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -131.38 145.99 52.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -131.37 134.78 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.559 HG23 ' CD2' ' A' ' 56' ' ' PHE . 4.8 m -75.53 157.74 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.9 p -140.19 146.15 38.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 49' ' ' GLU . 30.8 t70 -75.09 159.1 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -95.89 -25.46 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' N ' ' OD2' ' A' ' 47' ' ' ASP . 9.4 tt0 -74.87 -58.94 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.6 p -86.17 -37.17 19.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.55 33.87 15.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -126.29 172.41 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.0 m -64.01 111.25 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HB2' ' CG2' ' A' ' 45' ' ' VAL . 19.5 mmmt -50.31 -50.65 50.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.64 31.69 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CD2' HG23 ' A' ' 45' ' ' VAL . 26.0 p90 -170.99 154.27 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.599 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.52 -153.45 6.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 3.9 m-85 -148.22 138.35 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.557 HG23 ' CE1' ' A' ' 36' ' ' PHE . 92.0 t -107.85 117.3 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.43 140.85 33.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.496 ' CE1' HG12 ' A' ' 59' ' ' VAL . 79.3 m-85 -129.04 147.27 50.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -51.49 -37.62 49.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 64' ' ' GLU . 36.6 m -155.47 146.42 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 63' ' ' SER . 50.3 mt-10 -36.79 -49.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -45.48 -61.19 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.82 -42.4 58.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.42 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -59.24 -51.44 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -58.01 -57.29 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -47.69 -30.04 3.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.7 -30.48 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.51 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.2 ttpp -63.71 -47.35 81.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -61.5 -30.62 70.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.59 -49.82 61.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.406 ' C ' HD13 ' A' ' 86' ' ' LEU . 44.4 mmm -94.11 10.95 31.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -39.34 -47.56 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -118.51 20.98 12.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -76.94 159.55 49.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -132.73 116.06 16.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.9 mt -84.91 137.7 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.7 t70 51.56 44.68 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.44 26.88 64.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -133.71 132.65 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -65.15 130.92 45.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.03 143.92 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.188 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.435 ' HB ' ' CG ' ' A' ' 21' ' ' LYS . 87.8 m -110.27 114.85 28.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 74' ' ' MET . 2.4 mt -90.79 126.09 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -143.52 147.89 35.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.51 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 70.5 m95 -69.44 104.62 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -34.37 -55.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -170.79 133.35 0.95 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.74 116.62 4.64 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -66.95 88.46 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -119.33 173.24 14.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -102.75 112.01 24.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.393 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.42 126.97 1.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.42 -140.21 22.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 40.3 m -135.38 156.09 49.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.83 -179.99 12.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.81 3.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.634 2.223 . . . . 0.0 112.371 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.8 m 60.81 50.03 5.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 t -129.55 178.1 6.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -147.23 134.42 20.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -96.3 94.52 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.34 77.32 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 p -42.09 157.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -96.26 152.96 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.96 -162.48 2.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 150.4 68.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -72.85 77.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.1 167.14 31.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -85.97 -41.3 15.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 m -125.0 -52.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -145.74 151.74 46.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -164.22 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.576 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.7 t -123.79 157.95 32.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -83.14 -33.11 26.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.44 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 5.0 m -98.51 122.78 42.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.9 mt -95.24 130.95 41.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -84.23 124.7 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -112.03 122.43 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -126.52 149.88 49.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.56 34.49 5.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD11 ' CD1' ' A' ' 32' ' ' LEU . 83.3 mt -98.62 157.81 16.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.356 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' THR . 10.9 t -82.56 139.51 33.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -41.41 -24.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' SER . 21.4 t0 -83.97 -37.91 21.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' SER . 18.8 m -34.89 129.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.0 p -115.97 163.28 16.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -60.93 -20.44 62.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.6 -54.89 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 t -73.15 -19.4 61.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.443 ' CD1' HD11 ' A' ' 23' ' ' LEU . 63.7 tp -78.52 -37.65 42.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HE3' ' C ' ' A' ' 40' ' ' VAL . 22.4 tttt -68.32 -57.22 6.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -47.99 -42.85 28.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.7 m -40.75 -28.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -113.17 109.73 19.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.02 108.98 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.01 -42.43 1.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.7 p -39.63 151.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.416 ' C ' ' HE3' ' A' ' 33' ' ' LYS . 3.9 m -96.73 -34.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.425 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 15.4 ptt180 -156.77 165.64 35.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.84 153.91 49.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -139.04 151.24 46.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.8 mt -136.29 132.94 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.556 HG23 ' CD2' ' A' ' 56' ' ' PHE . 12.6 m -79.48 153.61 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.4 p -140.19 155.34 46.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -74.09 161.42 30.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -93.93 -21.77 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -88.42 -56.35 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.3 p -82.29 -24.09 34.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.64 34.64 90.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -125.63 166.62 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 m -61.08 119.97 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' HD3' ' CZ ' ' A' ' 56' ' ' PHE . 29.2 mtpt -61.88 -35.7 79.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.12 20.15 1.86 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.556 ' CD2' HG23 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -158.94 153.09 23.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.631 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -153.69 -149.96 5.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 4.5 m-85 -149.42 137.01 20.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.493 HG11 ' CE1' ' A' ' 61' ' ' PHE . 58.1 t -108.42 112.47 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.425 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 3.0 m-20 -77.21 155.87 31.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.493 ' CE1' HG11 ' A' ' 59' ' ' VAL . 74.4 m-85 -145.08 144.16 30.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -47.03 -32.92 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.0 m -161.36 159.28 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG2' ' C ' ' A' ' 15' ' ' SER . 39.2 mt-10 -50.29 -37.24 35.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -58.02 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.65 -43.64 26.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -57.94 -53.01 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -52.28 -55.58 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.26 -31.48 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.09 -25.5 36.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' GLU . 24.5 ttpp -70.65 -49.86 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.75 -24.87 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.66 -44.62 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.452 ' CB ' HD12 ' A' ' 86' ' ' LEU . 55.6 mmm -98.91 13.8 31.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 71' ' ' LYS . 10.5 pt-20 -52.31 -40.05 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -122.32 25.96 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.7 163.1 40.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -136.13 118.74 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.1 mt -87.79 137.95 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 51.13 46.09 26.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.25 21.64 62.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -126.48 133.18 51.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.369 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 127.8 33.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.7 m -114.69 149.87 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.2 m -118.12 114.65 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.452 HD12 ' CB ' ' A' ' 74' ' ' MET . 2.1 mt -89.06 126.71 35.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -142.46 135.34 28.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.576 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 66.5 m95 -55.61 130.38 42.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.64 105.98 10.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' N ' ' HD3' ' A' ' 90' ' ' LYS . 3.7 mppt? -69.46 143.23 92.91 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 96.07 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.381 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 174.81 4.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.08 127.62 3.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.17 120.48 9.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.373 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.91 153.45 25.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.46 -110.72 0.25 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.2 m -108.61 99.76 9.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.847 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -166.63 -177.98 38.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 172.5 12.56 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -171.57 169.49 6.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.4 t -135.1 159.13 42.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -137.64 123.54 20.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -140.77 112.41 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 161.61 -132.23 2.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.516 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.7 m -36.9 111.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 p -88.86 105.8 17.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.88 83.65 0.33 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.46 ' HG3' ' CE ' ' A' ' 68' ' ' LYS . 53.2 Cg_endo -69.77 -19.74 35.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -155.26 122.98 5.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.24 -39.09 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -106.67 -40.35 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 t -137.03 167.16 22.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -57.91 158.13 13.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.73 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.408 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 1.8 m -121.4 158.56 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -86.25 -33.0 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.46 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 8.4 m -98.72 132.0 44.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.551 HD12 ' CE1' ' A' ' 61' ' ' PHE . 13.4 mt -102.47 130.3 49.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 21' ' ' LYS . 31.4 t80 -84.2 119.64 25.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.9 t -109.25 122.18 63.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 10.2 pttt -127.13 147.97 50.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.19 37.36 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.0 mt -98.53 167.33 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 27' ' ' THR . 10.0 t -91.03 140.65 29.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -42.41 -23.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' SER . 36.8 t0 -88.85 -34.49 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 24' ' ' SER . 22.5 m -36.17 115.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.409 ' C ' HD12 ' A' ' 44' ' ' ILE . 62.3 p -101.44 158.32 16.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -54.24 -25.29 22.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -65.06 -57.76 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 32' ' ' LEU . 3.7 t -65.29 -29.2 69.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' N ' HG23 ' A' ' 31' ' ' THR . 50.2 tp -70.32 -39.49 74.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -69.53 -52.03 30.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -55.44 -42.21 73.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -38.6 -36.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 59' ' ' VAL . 25.1 m-85 -98.97 110.27 22.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.27 47.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.1 27.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 97.8 p -109.8 172.83 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.398 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.79 -35.67 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.0 mtt85 -150.73 163.25 39.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.74 155.66 45.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -144.91 150.96 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 45' ' ' VAL . 12.6 mt -135.37 138.36 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.565 HG21 ' CD2' ' A' ' 56' ' ' PHE . 12.0 m -78.5 156.12 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.3 p -141.65 154.75 45.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -79.05 155.98 28.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -92.17 -16.69 25.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -92.35 -55.1 3.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -84.39 -34.09 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.85 40.67 35.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 m -132.13 166.29 22.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 t -63.84 109.43 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -51.24 -47.81 62.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.78 31.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.448 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.565 ' CD2' HG21 ' A' ' 45' ' ' VAL . 48.1 p90 -171.55 152.05 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.884 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.411 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.98 -145.14 4.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.519 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.46 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 46.9 m-85 -152.56 145.45 24.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.561 HG23 ' CE1' ' A' ' 36' ' ' PHE . 83.8 t -111.82 113.75 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.53 149.08 36.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.551 ' CE1' HD12 ' A' ' 18' ' ' LEU . 88.9 m-85 -139.49 153.33 47.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.08 -30.53 71.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.6 m -161.47 147.17 13.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.408 ' HG2' ' C ' ' A' ' 15' ' ' SER . 25.1 mt-10 -39.34 -45.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -48.93 -60.48 2.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -50.41 -44.4 55.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.34 -54.57 45.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.46 ' CE ' ' HG3' ' A' ' 8' ' ' PRO . 32.7 tttm -53.74 -57.79 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.71 -28.41 9.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.91 -21.64 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.518 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.4 ttpp -74.14 -47.24 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -57.01 -37.95 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.9 -50.68 63.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.416 ' C ' HD12 ' A' ' 86' ' ' LEU . 63.8 mmm -87.13 4.73 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.7 pt-20 -39.77 -51.04 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 13.9 t0 -115.65 27.39 9.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.69 159.56 38.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -135.17 118.24 16.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.9 mt -88.28 137.77 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 t70 52.89 39.31 28.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.79 25.0 73.01 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -130.9 130.51 43.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -66.83 127.27 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.3 m -114.92 146.95 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 85.9 m -113.43 120.48 41.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.416 HD12 ' C ' ' A' ' 74' ' ' MET . 1.2 mt -97.29 123.61 41.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.38 144.61 38.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.518 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 78.2 m95 -64.02 121.32 13.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.64 115.31 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -106.48 137.05 19.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.63 0.729 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.6 60.6 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -88.33 85.01 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.33 55.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -90.01 89.89 7.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 170.98 -57.73 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 97' ' ' SER . . . 161.76 -62.95 0.28 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.461 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 96' ' ' GLY . 20.5 m 35.16 53.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.925 0.393 . . . . 0.0 110.854 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.56 159.72 29.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.434 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.232 . . . . 0.0 112.402 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.5 m -68.93 101.75 1.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.0 t -48.55 156.96 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -81.19 169.16 17.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.382 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.0 p -139.16 158.44 44.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.08 166.81 18.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -109.39 144.57 37.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.873 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -77.43 120.65 22.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.33 -179.13 39.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -23.19 31.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.387 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -83.28 -56.31 3.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.08 -46.42 22.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -106.71 170.13 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.7 p -38.05 147.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -41.36 155.05 0.22 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.709 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -170.01 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.9 m -136.53 136.71 39.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -60.98 -38.02 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 7.9 m -97.98 128.03 44.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.09 140.77 29.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -94.14 119.9 33.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.3 t -110.74 120.57 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -126.69 147.88 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.85 29.41 6.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD11 ' CD1' ' A' ' 32' ' ' LEU . 84.9 mt -91.22 165.43 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.321 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 27' ' ' THR . 17.0 t -88.43 140.69 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -42.6 -23.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' THR . 81.2 m-20 -89.05 -33.86 16.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 24' ' ' SER . 22.5 m -34.31 121.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.1 p -106.43 157.89 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 44' ' ' ILE . 9.1 mt-10 -56.89 -25.4 56.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -64.96 -49.07 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 32' ' ' LEU . 3.7 t -77.23 -24.15 51.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.132 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 23' ' ' LEU . 58.5 tp -76.69 -33.51 58.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -72.7 -60.04 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' PHE . 8.4 mm-40 -48.61 -45.69 38.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' GLU . 18.2 m -36.4 -32.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CE1' HG23 ' A' ' 59' ' ' VAL . 18.8 m-85 -106.93 100.99 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.74 98.62 0.93 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.11 -35.43 1.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.1 p -51.06 168.74 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.5 m -117.28 -28.24 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -154.51 160.7 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.33 146.22 36.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.3 mmt-85 -131.91 151.59 51.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.468 HD12 ' N ' ' A' ' 29' ' ' GLU . 63.9 mt -134.07 132.37 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.568 HG23 ' CE2' ' A' ' 56' ' ' PHE . 5.3 m -82.38 157.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.2 p -141.54 170.47 15.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -71.87 152.62 42.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -90.99 -3.53 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -104.37 -58.2 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.9 p -90.17 -34.91 15.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.9 22.79 40.93 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 p -98.99 152.09 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 t -55.73 117.21 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -64.07 -43.83 94.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.25 32.02 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CE2' HG23 ' A' ' 45' ' ' VAL . 29.9 p90 -172.88 154.51 2.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.65 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.11 -135.26 2.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 27.1 m-85 -156.81 149.2 23.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.662 ' CG1' ' CE1' ' A' ' 61' ' ' PHE . 95.4 t -116.02 113.74 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -80.47 135.1 36.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.662 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 70.3 m-85 -127.92 145.32 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -47.79 -36.31 11.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' GLU . 19.4 m -161.99 148.21 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' SER . 17.3 mt-10 -36.12 -53.28 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -44.04 -62.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.64 -41.35 42.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.06 -50.1 75.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -54.66 -56.71 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.09 -28.1 6.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.9 -25.67 26.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 22.7 ttpp -69.38 -49.79 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -57.51 -35.69 70.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.88 -53.78 35.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.41 ' C ' HD12 ' A' ' 86' ' ' LEU . 73.6 mmm -87.38 6.34 34.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 71' ' ' LYS . 20.2 pt-20 -39.53 -50.12 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -117.22 28.54 8.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.07 162.82 40.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.76 120.4 17.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.457 HD12 ' CD2' ' A' ' 23' ' ' LEU . 20.5 mt -88.36 137.15 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t0 51.5 38.14 21.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.05 26.51 74.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.505 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -132.23 129.88 40.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -65.24 129.35 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.7 m -117.84 143.87 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.5 m -108.96 123.36 48.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.41 HD12 ' C ' ' A' ' 74' ' ' MET . 2.0 mt -99.17 127.6 45.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.1 145.23 32.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.511 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 64.2 m95 -65.64 103.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -36.91 137.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -101.45 142.14 24.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 110.918 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 129.27 17.37 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.747 2.298 . . . . 0.0 112.329 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -96.11 105.12 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.71 128.93 1.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -142.22 155.78 45.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.93 0.395 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.57 -85.64 0.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.18 109.01 1.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 83.6 p -169.73 127.64 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.389 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.56 157.83 29.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 116.52 4.6 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 m -125.33 155.39 40.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 m -52.85 168.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.427 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 1.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.932 0.396 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -82.54 -32.35 28.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 5.0 m -98.3 129.65 45.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' CD2' ' HD3' ' A' ' 71' ' ' LYS . 12.5 mt -97.28 129.84 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -84.88 118.95 24.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.407 HG11 HD11 ' A' ' 32' ' ' LEU . 59.6 t -108.49 112.72 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -120.6 139.77 52.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.54 36.12 2.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.912 HD21 HD12 ' A' ' 79' ' ' ILE . 82.7 mt -96.25 176.48 6.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 27' ' ' THR . 4.5 t -98.55 140.68 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -42.97 -23.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -90.99 -32.46 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.649 HG21 HD22 ' A' ' 23' ' ' LEU . 55.3 m -38.83 115.32 0.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.565 ' O ' HG22 ' A' ' 31' ' ' THR . 69.1 p -100.81 155.92 17.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.797 ' N ' HD12 ' A' ' 44' ' ' ILE . 23.0 mt-10 -50.68 -26.06 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -53.8 47.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.647 HG21 ' OD2' ' A' ' 80' ' ' ASP . 7.6 t -68.88 -24.48 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.542 HD13 HD11 ' A' ' 23' ' ' LEU . 48.3 tp -75.63 -38.2 59.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -66.07 -61.8 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' SER . 4.1 mm-40 -48.69 -44.4 37.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' GLU . 19.5 m -35.78 -37.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.704 ' CE1' HG21 ' A' ' 59' ' ' VAL . 29.9 m-85 -106.11 103.17 12.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.2 97.92 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.7 -35.71 1.76 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.449 ' HB3' ' CE2' ' A' ' 61' ' ' PHE . 78.6 p -49.44 165.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.2 m -109.25 -31.55 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -154.01 168.98 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.37 149.91 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -135.39 148.98 49.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.797 HD12 ' N ' ' A' ' 29' ' ' GLU . 53.4 mt -135.88 135.86 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.808 HG21 ' CE2' ' A' ' 56' ' ' PHE . 4.6 m -80.16 152.92 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.9 p -138.24 146.21 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -73.78 152.7 40.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -94.31 -19.49 20.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -85.79 -54.09 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.5 p -87.45 -36.77 17.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.199 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.32 30.16 38.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -124.1 153.51 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 t -49.82 112.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.594 ' HB2' HG23 ' A' ' 45' ' ' VAL . 22.4 mmmt -52.01 -46.51 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.85 23.78 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.808 ' CE2' HG21 ' A' ' 45' ' ' VAL . 3.5 p90 -164.65 151.44 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.652 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.81 -143.86 3.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.652 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 8.3 m-85 -152.7 156.03 38.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.856 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.704 HG21 ' CE1' ' A' ' 36' ' ' PHE . 75.3 t -125.38 110.47 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.52 137.03 39.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.661 ' CE1' HG12 ' A' ' 59' ' ' VAL . 86.2 m-85 -127.26 157.34 40.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -58.09 -36.19 72.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.6 m -158.93 156.92 30.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.427 ' HG2' ' C ' ' A' ' 15' ' ' SER . 16.5 mt-10 -47.39 -40.55 17.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -53.28 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.82 -42.11 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.74 -53.89 53.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -54.53 -57.88 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.4 -28.84 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.71 -27.94 26.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 19.4 ttpp -66.37 -46.9 75.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 12.3 mt-10 -59.97 -36.82 77.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.44 -52.52 57.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 50.5 mmm -87.75 6.87 32.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 13.7 pt-20 -39.72 -54.0 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -111.37 26.2 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.73 157.46 34.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.425 ' HB2' ' C ' ' A' ' 82' ' ' ASN . 9.6 pt-20 -130.72 116.25 17.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.912 HD12 HD21 ' A' ' 23' ' ' LEU . 33.6 mt -82.68 138.12 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.647 ' OD2' HG21 ' A' ' 31' ' ' THR . 2.1 m-20 50.17 45.33 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.21 27.69 67.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.524 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.425 ' C ' ' HB2' ' A' ' 78' ' ' GLU . 67.7 m-20 -134.15 132.23 39.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -65.86 131.25 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.415 ' CG1' HD23 ' A' ' 23' ' ' LEU . 31.0 m -121.13 146.65 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.8 m -112.13 119.29 37.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 71' ' ' LYS . 1.8 mt -94.12 125.97 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -142.84 144.97 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.543 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 74.5 m95 -64.71 117.18 7.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.8 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.964 0.412 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -58.23 -33.94 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.477 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 7.6 m -101.72 126.4 48.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.803 HD12 ' CE2' ' A' ' 61' ' ' PHE . 15.4 mt -97.01 131.5 43.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -84.26 119.41 25.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.449 HG11 HD11 ' A' ' 32' ' ' LEU . 66.2 t -109.96 112.43 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -119.7 147.36 44.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.71 42.42 2.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.606 HD21 HD12 ' A' ' 79' ' ' ILE . 58.6 mt -105.45 169.15 8.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' THR . 19.0 t -88.54 140.59 29.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -43.06 -23.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 27' ' ' THR . 38.2 m-20 -88.93 -33.45 17.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.538 HG21 HD22 ' A' ' 23' ' ' LEU . 95.4 m -34.86 114.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.434 ' O ' HG22 ' A' ' 31' ' ' THR . 67.5 p -102.61 153.03 20.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -49.26 -27.78 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.56 -51.65 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.675 HG21 ' OD2' ' A' ' 80' ' ' ASP . 2.4 t -74.47 -16.79 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 HG12 ' A' ' 44' ' ' ILE . 45.9 tp -81.05 -36.84 29.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -71.58 -52.59 17.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 36' ' ' PHE . 22.0 mt-10 -54.89 -43.42 73.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -38.51 -30.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.815 ' CE1' HG21 ' A' ' 59' ' ' VAL . 17.9 m-85 -109.6 106.15 15.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.37 83.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.2 -38.15 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.9 p -47.57 161.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -111.29 -35.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -145.7 159.2 43.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.17 150.82 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -135.84 152.44 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.469 HG12 HD22 ' A' ' 32' ' ' LEU . 30.2 mt -136.11 130.12 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.856 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 2.2 m -72.12 153.35 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 p -141.97 152.99 43.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.63 158.27 35.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -93.94 -15.0 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -100.31 -52.01 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.2 p -84.77 -28.37 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.69 42.72 95.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -132.26 156.98 45.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.364 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -58.56 103.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 5.4 mtpm? -47.06 -46.41 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.15 31.02 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.856 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 18.0 p90 -171.96 153.65 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.65 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.09 -140.12 2.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 10.9 m-85 -152.06 158.92 43.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.815 HG21 ' CE1' ' A' ' 36' ' ' PHE . 46.2 t -128.59 117.09 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 61' ' ' PHE . 23.0 t0 -78.6 143.25 36.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.803 ' CE2' HD12 ' A' ' 18' ' ' LEU . 65.9 m-85 -137.23 145.0 43.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -48.36 -37.76 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.0 m -161.43 153.21 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -43.68 -44.74 6.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -49.42 -62.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -53.24 -40.76 64.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.566 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -59.22 -44.53 92.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -60.66 -54.89 39.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -31.71 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.77 -29.9 32.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 19.8 ttpp -65.12 -46.69 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 75' ' ' GLU . 9.2 mt-10 -61.39 -39.33 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.55 -52.32 64.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.5 mmm -89.04 8.63 28.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 72' ' ' GLU . 16.9 pt-20 -40.68 -52.98 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 75' ' ' GLU . 2.9 p30 -111.33 25.68 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.28 161.84 43.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -134.31 116.36 15.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.606 HD12 HD21 ' A' ' 23' ' ' LEU . 19.0 mt -85.11 134.5 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.07 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.675 ' OD2' HG21 ' A' ' 31' ' ' THR . 1.7 m-20 55.67 38.6 30.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.6 20.32 71.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -126.99 133.98 50.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -66.33 128.06 34.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG1' HD23 ' A' ' 23' ' ' LEU . 29.2 m -116.19 147.91 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.4 m -113.85 116.25 29.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mt -91.58 125.39 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.3 141.71 32.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.519 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 52.8 m95 -61.59 106.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.44 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 2.2 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -56.07 -33.27 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.485 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 11.9 m -99.59 129.96 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.58 HD12 ' CE2' ' A' ' 61' ' ' PHE . 12.4 mt -101.04 134.42 44.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -86.35 119.81 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.625 HG21 HD11 ' A' ' 32' ' ' LEU . 62.9 t -108.56 118.91 57.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -125.11 152.06 44.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.54 31.05 7.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.445 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.813 HD22 HG21 ' A' ' 27' ' ' THR . 87.4 mt -90.32 177.14 6.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.323 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 27' ' ' THR . 33.2 t -102.48 140.78 36.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -42.36 -23.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 24' ' ' SER . 14.1 m-20 -94.23 -31.07 14.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.813 HG21 HD22 ' A' ' 23' ' ' LEU . 53.4 m -39.92 110.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.626 ' O ' HG22 ' A' ' 31' ' ' THR . 58.9 p -92.33 158.69 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.48 ' HG2' ' N ' ' A' ' 44' ' ' ILE . 22.0 mt-10 -55.44 -27.83 50.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -60.46 -49.34 77.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 28' ' ' THR . 5.2 t -72.63 -20.57 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.625 HD11 HG21 ' A' ' 20' ' ' VAL . 51.4 tp -76.54 -39.51 52.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 13.4 tttt -69.12 -56.97 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 36' ' ' PHE . 7.1 mm-40 -49.88 -46.7 51.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' GLU . 21.3 m -35.27 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.917 ' CE1' HG21 ' A' ' 59' ' ' VAL . 19.2 m-85 -106.78 112.68 25.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -74.27 93.63 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.24 -38.39 1.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -42.95 164.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.34 -37.11 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -155.02 171.08 20.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -146.82 157.67 43.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -141.59 148.99 40.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.48 ' N ' ' HG2' ' A' ' 29' ' ' GLU . 23.3 mt -130.62 134.67 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.555 HG21 ' CE2' ' A' ' 56' ' ' PHE . 1.4 m -79.69 156.35 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.7 p -140.31 154.59 46.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -75.17 164.41 26.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -94.72 -31.21 13.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.64 -58.43 2.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.9 p -77.14 -32.27 56.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.1 45.43 82.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 t -138.15 162.43 34.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -53.56 108.01 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 29.6 mtmt -53.73 -40.03 65.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.47 27.77 0.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.503 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.555 ' CE2' HG21 ' A' ' 45' ' ' VAL . 12.9 p90 -173.7 155.31 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.634 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.83 -132.47 1.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 38.4 m-85 -160.73 141.65 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.917 HG21 ' CE1' ' A' ' 36' ' ' PHE . 48.1 t -109.01 111.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.64 133.82 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.58 ' CE2' HD12 ' A' ' 18' ' ' LEU . 40.2 m-85 -121.64 160.39 24.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.46 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -68.07 -24.71 65.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 m -162.08 164.33 28.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -64.74 -42.03 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.0 -52.94 63.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.6 -37.61 81.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.537 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -61.96 -35.9 79.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -69.92 -55.01 10.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.23 -27.85 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.88 -21.57 31.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.518 ' HB3' ' HZ3' ' A' ' 71' ' ' LYS . 1.1 ttpm? -73.79 -43.92 57.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.83 -31.2 70.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.4 -44.69 57.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.609 ' CB ' HD11 ' A' ' 86' ' ' LEU . 43.9 mmm -96.19 17.1 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.1 pt-20 -51.67 -50.4 60.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.437 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 22.2 p-10 -112.84 16.89 19.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.3 162.87 53.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -135.41 117.54 15.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.622 HD12 HD21 ' A' ' 23' ' ' LEU . 11.5 mt -85.4 137.67 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 48.69 49.52 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.94 26.81 61.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -132.8 132.53 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -68.62 131.67 45.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.9 m -122.47 154.92 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 100.0 m -123.21 117.93 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.679 HD13 ' HE2' ' A' ' 36' ' ' PHE . 1.8 mt -89.68 126.88 35.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -141.91 135.15 29.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.451 ' O ' ' C ' ' A' ' 89' ' ' ALA . 67.5 m95 -57.56 102.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 4.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.937 0.398 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -73.01 -29.48 63.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.4 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 3.1 m -103.57 129.53 50.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.516 HD12 ' CE2' ' A' ' 61' ' ' PHE . 12.3 mt -95.73 136.91 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 75.5 t80 -90.1 118.13 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -107.81 115.07 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 23.8 pttt -123.43 143.08 50.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.94 38.2 2.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.671 HD11 HD13 ' A' ' 32' ' ' LEU . 80.1 mt -100.12 161.79 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' THR . 7.4 t -83.33 140.71 32.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -41.91 -24.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 27.8 m-20 -85.62 -36.29 20.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.567 HG21 HD22 ' A' ' 23' ' ' LEU . 93.5 m -35.6 120.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.9 p -108.57 158.69 17.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -56.03 -23.29 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -66.5 -53.04 39.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 t -70.4 -31.98 69.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.671 HD13 HD11 ' A' ' 23' ' ' LEU . 21.6 tp -67.53 -37.96 83.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 14.1 tttt -67.95 -53.76 23.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.92 -39.58 81.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -38.47 -34.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.832 ' CE1' HG21 ' A' ' 59' ' ' VAL . 28.3 m-85 -105.69 102.07 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.42 90.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.98 -36.84 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.429 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 60.3 p -46.29 162.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.38 -31.07 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -152.49 168.76 24.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -151.76 153.96 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -140.14 156.47 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.1 mt -136.22 129.81 47.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.033 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 8.9 m -73.65 151.98 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.7 p -140.17 156.06 46.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -77.77 153.88 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.811 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.21 -21.29 23.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -89.87 -58.16 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.2 p -77.55 -34.77 53.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.06 40.53 50.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 t -132.17 175.06 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -69.61 115.61 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.523 ' HB2' HG23 ' A' ' 45' ' ' VAL . 40.4 mttm -61.71 -48.13 82.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.77 33.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 1.033 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 39.3 p90 -174.42 151.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.886 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.95 -154.68 6.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.4 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 30.9 m-85 -138.91 142.53 38.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.832 HG21 ' CE1' ' A' ' 36' ' ' PHE . 51.8 t -112.69 111.71 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.69 140.27 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 59' ' ' VAL . 63.3 m-85 -133.37 144.99 49.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -45.46 -31.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.2 m -165.88 162.25 18.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -49.74 -41.71 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -54.29 -62.17 1.83 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -46.64 -43.72 17.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.46 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -58.58 -48.45 80.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -56.67 -51.74 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.09 -28.39 4.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.053 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.21 -29.21 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.637 ' HA ' HD12 ' A' ' 86' ' ' LEU . 22.3 ttpp -67.49 -45.57 75.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.85 -34.07 72.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.89 -58.15 3.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.542 ' CB ' HD11 ' A' ' 86' ' ' LEU . 63.8 mmm -77.09 6.31 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 15.5 pt-20 -43.53 -44.42 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 63.7 m-20 -119.44 20.84 12.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -75.0 162.76 53.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.64 117.8 13.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.863 0.363 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.526 HD12 HD21 ' A' ' 23' ' ' LEU . 16.5 mt -88.34 140.25 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.2 t0 52.66 41.04 31.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.49 23.11 68.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -130.93 134.96 47.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.388 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -65.93 136.06 55.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.7 m -123.63 146.73 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -115.2 117.56 30.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 71' ' ' LYS . 2.1 mt -93.27 121.19 34.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.38 137.48 40.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.485 ' NE1' ' HE2' ' A' ' 71' ' ' LYS . 66.6 m95 -57.75 118.0 4.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.872 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -83.81 -33.59 24.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 58' ' ' PHE . 14.5 m -98.43 124.3 43.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.663 HD11 ' O ' ' A' ' 67' ' ' ALA . 18.2 mt -92.48 144.04 25.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -97.31 114.24 25.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 32' ' ' LEU . 26.8 t -104.78 113.78 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -122.71 139.38 54.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.47 34.53 2.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.674 HD21 HD12 ' A' ' 79' ' ' ILE . 67.6 mt -97.12 170.24 9.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.347 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' THR . 21.4 t -89.61 140.71 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -44.14 -22.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 24' ' ' SER . 29.9 t70 -92.28 -30.8 15.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.672 HG21 HD22 ' A' ' 23' ' ' LEU . 97.2 m -38.88 116.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 31' ' ' THR . 55.6 p -98.37 162.95 12.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.597 ' N ' HD12 ' A' ' 44' ' ' ILE . 25.4 mt-10 -60.59 -22.68 63.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.96 -48.74 67.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.629 HG21 ' OD2' ' A' ' 80' ' ' ASP . 2.5 t -75.38 -20.71 58.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.598 HD13 HD11 ' A' ' 23' ' ' LEU . 53.8 tp -78.31 -36.27 46.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -71.43 -54.87 9.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' SER . 9.1 mm-40 -50.61 -44.3 57.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' GLU . 48.9 m -37.6 -36.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.86 ' CE1' HG21 ' A' ' 59' ' ' VAL . 17.7 m-85 -102.95 102.7 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -67.23 99.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.73 -36.23 2.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.556 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 48.4 p -44.04 167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.939 0.399 . . . . 0.0 110.848 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 41' ' ' ARG . 35.5 m -109.88 -39.59 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.402 ' N ' HG23 ' A' ' 40' ' ' VAL . 37.4 mmt180 -154.31 170.85 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.99 160.74 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -145.85 136.53 24.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.597 HD12 ' N ' ' A' ' 29' ' ' GLU . 70.4 mt -117.99 137.52 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.038 HG21 ' CE2' ' A' ' 56' ' ' PHE . 15.2 m -85.76 154.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.4 p -135.96 169.05 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.53 155.93 24.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -94.68 -14.04 25.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -99.11 -41.24 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.0 p -98.45 -20.79 16.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.09 29.33 74.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -120.2 162.29 19.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.9 m -64.6 117.38 7.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -61.84 -51.6 67.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.32 37.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 1.038 ' CE2' HG21 ' A' ' 45' ' ' VAL . 35.0 p90 -174.96 158.65 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.634 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -159.16 -133.24 1.48 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 37.7 m-85 -160.95 142.91 12.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.86 HG21 ' CE1' ' A' ' 36' ' ' PHE . 66.9 t -109.82 111.66 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.65 144.01 31.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 39' ' ' SER . 59.8 m-85 -131.78 172.27 12.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -84.63 -23.59 29.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' GLU . 67.5 m -164.67 135.12 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' SER . 30.8 mp0 -37.61 -42.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 7.7 pt-20 -46.53 -50.11 17.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.509 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 9.8 m-20 -68.8 -38.1 79.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.663 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -62.2 -34.66 76.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -75.67 -55.27 5.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.69 -35.42 55.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.34 -22.44 51.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 25.1 ttpp -73.28 -50.52 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 75' ' ' GLU . 17.9 mt-10 -54.92 -28.19 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.56 -45.43 25.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.652 ' CB ' HD11 ' A' ' 86' ' ' LEU . 48.9 mmm -93.31 12.43 24.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HG3' ' CG ' ' A' ' 76' ' ' ASP . 12.6 pt-20 -51.04 -43.58 60.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.404 ' CG ' ' HG3' ' A' ' 75' ' ' GLU . 36.8 m-20 -118.06 22.84 11.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.47 159.51 40.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -131.53 119.22 21.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.674 HD12 HD21 ' A' ' 23' ' ' LEU . 9.8 mt -87.61 133.88 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.629 ' OD2' HG21 ' A' ' 31' ' ' THR . 13.9 m-20 55.58 41.71 30.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.05 18.61 67.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.46 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -125.83 131.31 52.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -65.52 132.58 49.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.5 m -121.53 147.55 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.2 m -115.72 112.55 22.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.652 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.4 mt -88.06 126.25 35.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -139.45 141.34 37.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.535 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 61.2 m95 -60.52 111.05 1.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 179.881 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.416 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 3.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.928 0.394 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -69.76 -31.29 69.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.479 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 4.1 m -101.69 121.61 42.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.421 HD21 ' CZ3' ' A' ' 88' ' ' TRP . 21.2 mt -93.59 132.24 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -84.45 121.33 27.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.558 HG11 HD11 ' A' ' 32' ' ' LEU . 52.2 t -110.3 114.08 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -122.2 142.65 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.33 30.5 4.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 27' ' ' THR . 83.9 mt -90.81 174.77 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.7 t -97.79 140.67 31.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -43.21 -23.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.9 m-20 -93.04 -30.78 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.778 HG21 HD22 ' A' ' 23' ' ' LEU . 55.5 m -41.44 112.01 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.443 ' C ' HD12 ' A' ' 44' ' ' ILE . 52.3 p -94.16 164.77 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.487 ' N ' HD12 ' A' ' 44' ' ' ILE . 10.9 mt-10 -62.7 -21.51 65.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.68 -49.64 57.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 t -76.05 -16.75 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.558 HD11 HG11 ' A' ' 20' ' ' VAL . 61.9 tp -82.67 -35.61 26.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.951 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 13.0 tttm -70.22 -57.27 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -47.81 -43.78 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 m -40.4 -32.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.833 ' CE1' HG21 ' A' ' 59' ' ' VAL . 26.9 m-85 -106.55 103.3 12.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.03 109.28 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.81 -42.6 1.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.4 p -41.7 159.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.739 HG23 ' HG2' ' A' ' 41' ' ' ARG . 6.1 m -101.63 -34.06 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.739 ' HG2' HG23 ' A' ' 40' ' ' VAL . 11.5 ptt180 -156.86 167.07 31.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -142.98 153.04 42.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -137.46 152.08 49.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.487 HD12 ' N ' ' A' ' 29' ' ' GLU . 19.1 mt -134.93 134.77 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.595 HG21 ' CE2' ' A' ' 56' ' ' PHE . 1.8 m -76.44 156.1 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.0 p -140.03 152.07 45.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.77 152.76 39.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -92.72 -9.4 40.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -102.18 -53.13 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.9 p -88.14 -24.49 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.94 33.82 80.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -123.86 156.08 36.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 m -56.24 107.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 45' ' ' VAL . 49.7 mtpt -46.43 -45.09 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.19 28.49 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.595 ' CE2' HG21 ' A' ' 45' ' ' VAL . 27.9 p90 -171.03 154.88 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.549 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.54 -145.03 4.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.549 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 16.4 m-85 -150.12 139.63 21.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.833 HG21 ' CE1' ' A' ' 36' ' ' PHE . 78.1 t -112.3 117.15 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 56.3 m-20 -80.91 150.41 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.521 ' CE1' HG12 ' A' ' 59' ' ' VAL . 71.4 m-85 -138.72 145.84 40.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -51.59 -29.34 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.5 m -163.68 151.38 12.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -43.38 -46.04 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -51.55 -60.16 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.9 -44.74 19.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -59.38 -48.0 83.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -56.58 -49.47 74.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -26.15 27.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.49 -22.0 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.644 ' HA ' HD12 ' A' ' 86' ' ' LEU . 17.9 ttpp -77.27 -40.39 44.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.02 -29.35 70.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.26 -48.11 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.589 ' CB ' HD11 ' A' ' 86' ' ' LEU . 61.5 mmm -86.17 10.06 15.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -50.56 -42.17 55.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -119.65 15.12 12.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.11 161.06 54.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -133.92 118.42 17.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.604 HD12 HD21 ' A' ' 23' ' ' LEU . 9.0 mt -86.94 136.87 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 49.61 49.48 19.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.26 26.81 59.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -132.97 130.82 40.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -67.0 130.76 44.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.2 m -119.35 151.27 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.4 m -119.71 119.49 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 71' ' ' LYS . 1.5 mt -93.42 127.23 38.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.23 133.3 24.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.482 ' NE1' ' HE2' ' A' ' 71' ' ' LYS . 70.1 m95 -54.85 121.52 8.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.87 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.533 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 8.9 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.96 0.41 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -78.4 -34.27 48.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.428 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 18.4 m -98.34 125.95 43.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' A' ' 61' ' ' PHE . 11.2 mt -97.22 137.26 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 17.2 t80 -88.55 119.72 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 32' ' ' LEU . 46.3 t -110.75 108.9 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -119.74 138.83 53.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.43 37.26 1.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.71 HD22 HG21 ' A' ' 27' ' ' THR . 35.3 mt -99.93 175.79 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.8 t -94.88 140.62 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -43.24 -23.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' SER . 25.5 t0 -90.93 -32.15 16.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.71 HG21 HD22 ' A' ' 23' ' ' LEU . 59.6 m -38.35 117.08 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 31' ' ' THR . 71.0 p -100.45 157.92 16.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.583 ' N ' HD12 ' A' ' 44' ' ' ILE . 38.9 mt-10 -54.06 -27.65 33.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.37 -52.96 62.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 28' ' ' THR . 1.7 t -71.96 -15.71 62.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.573 HD11 HG11 ' A' ' 20' ' ' VAL . 50.6 tp -83.25 -35.74 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 12.1 tttt -73.41 -54.89 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' SER . 23.2 mm-40 -53.67 -45.47 70.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' GLU . 20.2 m -35.04 -36.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.951 ' CE1' HG21 ' A' ' 59' ' ' VAL . 18.8 m-85 -101.12 115.47 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -75.43 86.12 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.61 -39.99 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.443 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 59.7 p -43.45 159.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.52 -28.69 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -155.92 170.51 21.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -147.92 153.04 38.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -139.47 150.47 45.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.583 HD12 ' N ' ' A' ' 29' ' ' GLU . 88.8 mt -132.53 140.2 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.972 HG21 ' CE2' ' A' ' 56' ' ' PHE . 33.9 m -83.97 154.79 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.7 p -139.71 156.21 46.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -77.74 159.24 29.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -93.58 -23.16 18.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.27 -57.99 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.3 p -77.83 -33.12 52.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.29 43.79 54.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -137.25 163.3 31.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.0 110.845 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.9 m -65.31 109.21 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -52.11 -51.7 56.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.63 35.11 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.972 ' CE2' HG21 ' A' ' 45' ' ' VAL . 29.5 p90 -172.31 154.64 3.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.64 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.56 -135.98 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.538 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 28.3 m-85 -158.28 142.39 15.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.951 HG21 ' CE1' ' A' ' 36' ' ' PHE . 58.1 t -108.74 113.11 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.38 133.17 35.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.533 ' CE1' HD12 ' A' ' 18' ' ' LEU . 73.4 m-85 -121.06 165.05 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.468 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -70.0 -31.87 69.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.5 m -156.91 159.96 38.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -57.58 -44.23 85.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.29 -57.83 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.57 -46.26 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -56.28 -42.15 77.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -63.05 -53.53 52.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.34 -26.44 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.11 -24.78 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.467 ' NZ ' ' CZ2' ' A' ' 88' ' ' TRP . 4.8 ttpm? -68.65 -46.52 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -56.91 -35.8 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.04 -46.11 62.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.618 ' CB ' HD11 ' A' ' 86' ' ' LEU . 60.7 mmm -95.05 19.24 10.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.7 pt-20 -54.26 -51.32 64.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 3.1 p30 -112.91 19.07 17.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.92 161.85 54.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -133.95 118.48 17.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.346 . . . . 0.0 110.944 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.674 HD12 HD21 ' A' ' 23' ' ' LEU . 19.1 mt -88.62 138.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.4 t0 51.98 43.76 30.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.34 23.61 66.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -130.89 134.01 46.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -68.11 128.14 35.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.413 ' CG1' HD23 ' A' ' 23' ' ' LEU . 27.7 m -116.6 149.49 18.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.4 m -118.44 116.57 26.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.651 HD13 ' HE2' ' A' ' 36' ' ' PHE . 1.5 mt -89.18 125.25 34.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -140.66 134.99 31.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.533 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 66.0 m95 -59.12 129.6 42.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.837 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.425 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 2.4 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.959 0.409 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -80.7 -38.06 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' HB3' ' A' ' 58' ' ' PHE . 4.3 m -99.22 125.32 44.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.75 HD12 ' CE2' ' A' ' 61' ' ' PHE . 11.2 mt -91.88 145.4 24.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -97.87 116.68 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 t -107.67 117.68 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.48 ' CG ' ' HB ' ' A' ' 85' ' ' THR . 2.5 ptmm? -122.44 147.64 46.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.47 46.75 2.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.746 HD13 HG21 ' A' ' 27' ' ' THR . 95.7 mt -108.27 158.2 17.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 27' ' ' THR . 18.8 t -78.77 137.49 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.407 ' CD ' ' H ' ' A' ' 25' ' ' GLU . 2.0 mp0 -41.23 -27.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 15.3 m-20 -83.4 -36.3 24.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.746 HG21 HD13 ' A' ' 23' ' ' LEU . 3.4 m -34.42 121.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.081 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.44 ' C ' ' CD1' ' A' ' 44' ' ' ILE . 71.0 p -107.55 163.95 12.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.433 ' N ' HD12 ' A' ' 44' ' ' ILE . 21.8 mt-10 -59.17 -24.49 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -66.31 -51.75 54.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 t -73.65 -18.36 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.618 HD13 HD11 ' A' ' 23' ' ' LEU . 43.5 tp -84.98 -32.06 23.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 11.0 tttt -73.14 -52.9 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 36' ' ' PHE . 63.9 mt-10 -57.75 -40.83 80.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 m -38.28 -29.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.966 ' CE1' HG21 ' A' ' 59' ' ' VAL . 21.6 m-85 -107.23 111.46 23.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.51 79.48 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.88 -33.63 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.5 p -47.56 164.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -114.44 -30.18 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -152.46 165.98 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.488 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -146.97 151.9 37.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -142.96 147.05 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.44 ' CD1' ' C ' ' A' ' 28' ' ' THR . 68.3 mt -127.95 134.64 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.968 HG21 ' CE2' ' A' ' 56' ' ' PHE . 18.0 m -79.13 152.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.1 p -136.28 156.7 48.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -77.58 150.49 34.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -7.53 54.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -102.74 -50.98 3.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.8 p -89.81 -20.62 23.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.36 35.12 91.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -127.68 163.6 23.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.9 m -66.01 110.47 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 88.1 mttt -51.35 -54.21 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.31 33.56 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.968 ' CE2' HG21 ' A' ' 45' ' ' VAL . 21.8 p90 -171.11 158.3 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.642 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.59 -142.83 3.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.8 m-85 -156.01 139.96 16.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.966 HG21 ' CE1' ' A' ' 36' ' ' PHE . 41.2 t -110.11 120.98 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.82 148.45 31.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.75 ' CE2' HD12 ' A' ' 18' ' ' LEU . 71.0 m-85 -138.41 147.66 43.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -54.24 -27.97 38.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.7 m -167.74 159.53 11.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HG2' ' C ' ' A' ' 15' ' ' SER . 10.1 mt-10 -50.34 -47.1 56.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -50.04 -58.75 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -54.82 -38.72 67.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.443 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -60.08 -42.56 94.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -65.51 -55.38 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.43 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.054 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.21 -22.93 23.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.3 ttpp -75.81 -47.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -55.26 -30.83 60.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.45 -50.98 12.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.674 ' CB ' HD11 ' A' ' 86' ' ' LEU . 72.5 mmm -83.55 8.04 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -46.49 -39.17 10.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -124.82 26.42 7.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.9 159.51 36.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.478 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -133.82 117.23 16.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.445 HD12 HD21 ' A' ' 23' ' ' LEU . 13.0 mt -86.77 137.35 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 54.69 40.43 31.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.26 22.5 69.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.528 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -130.1 136.62 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -67.61 135.08 52.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 23.4 m -122.49 146.14 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.48 ' HB ' ' CG ' ' A' ' 21' ' ' LYS . 98.9 m -112.72 114.37 26.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.674 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.5 mt -91.37 129.08 37.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.29 141.97 29.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.543 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 71.3 m95 -61.49 127.55 32.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.07 179.869 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.9 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.94 0.4 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -79.2 -39.41 33.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.476 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 18.6 m -98.03 129.56 44.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.636 HD12 ' CE2' ' A' ' 61' ' ' PHE . 18.5 mt -96.84 140.06 31.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -93.47 116.65 29.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.0 t -105.93 116.08 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -122.09 148.15 45.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.06 29.98 6.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.667 HD22 HG21 ' A' ' 27' ' ' THR . 52.5 mt -93.17 170.99 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.5 t -94.73 140.66 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -42.35 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' SER . 1.2 m-20 -88.21 -34.53 17.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.667 HG21 HD22 ' A' ' 23' ' ' LEU . 55.4 m -39.31 112.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.8 p -96.72 157.34 15.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -53.62 -26.08 20.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -63.57 -55.53 23.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.1 t -70.02 -16.28 63.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.9 tp -82.63 -36.61 25.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 17.3 tttt -70.74 -56.53 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -51.05 -43.02 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -38.15 -36.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.624 ' CE1' HG21 ' A' ' 59' ' ' VAL . 16.2 m-85 -102.69 104.5 14.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.4 98.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.89 -41.8 1.28 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -44.38 160.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.8 m -103.21 -34.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -156.83 170.66 21.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -144.91 158.43 43.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -143.06 152.28 41.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.7 mt -133.84 143.57 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.635 HG21 ' CE2' ' A' ' 56' ' ' PHE . 1.8 m -89.23 158.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 53' ' ' SER . 80.1 p -141.73 157.97 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.9 151.29 37.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -90.64 -15.75 29.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -94.06 -56.58 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.0 p -82.44 -34.94 27.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.5 38.92 27.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.9 t -132.49 143.93 50.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.487 ' HA ' HG22 ' A' ' 46' ' ' THR . 6.7 m -48.06 110.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.548 ' HD2' ' CZ ' ' A' ' 56' ' ' PHE . 59.6 mttt -51.48 -46.69 63.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.46 29.12 0.39 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.635 ' CE2' HG21 ' A' ' 45' ' ' VAL . 1.8 p90 -164.93 149.32 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -151.25 -134.33 2.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.487 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 43.3 m-85 -158.63 158.54 34.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.924 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.624 HG21 ' CE1' ' A' ' 36' ' ' PHE . 40.3 t -124.17 112.08 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.22 126.71 31.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.636 ' CE2' HD12 ' A' ' 18' ' ' LEU . 49.2 m-85 -116.78 159.84 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -66.5 -32.07 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.6 m -162.8 150.79 13.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.781 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.426 ' HG2' ' C ' ' A' ' 15' ' ' SER . 18.0 mt-10 -42.36 -53.15 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.23 -62.64 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.4 -39.3 56.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.57 -51.52 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -56.86 -54.82 42.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.11 -30.73 6.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.7 -26.9 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.7 ttpp -67.76 -47.88 67.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -59.27 -28.88 67.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.21 -53.94 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.444 ' CB ' HD11 ' A' ' 86' ' ' LEU . 61.2 mmm -86.27 10.68 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 25.9 pt-20 -45.79 -48.73 15.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 1.4 p30 -114.98 24.33 11.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.78 160.98 43.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -134.69 117.44 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.497 HD12 HD21 ' A' ' 23' ' ' LEU . 11.1 mt -86.86 138.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 t70 50.27 44.73 26.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.96 28.13 68.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -134.15 131.41 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.942 0.401 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -65.47 129.38 39.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.3 m -119.46 147.39 23.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 97.4 m -115.39 121.59 43.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.444 HD11 ' CB ' ' A' ' 74' ' ' MET . 1.5 mt -95.31 129.88 42.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -144.1 143.15 31.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.543 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 60.8 m95 -62.58 104.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.874 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.544 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.1 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' CG ' ' HG3' ' A' ' 64' ' ' GLU . 9.4 mtmp? -79.9 -31.5 40.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.486 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 28.3 m -97.98 131.06 44.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.518 HD12 ' CE2' ' A' ' 61' ' ' PHE . 22.1 mt -98.93 128.97 45.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 45.5 t80 -84.28 120.69 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.422 HG21 HD11 ' A' ' 32' ' ' LEU . 86.3 t -108.54 114.42 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 9.2 pttp -120.53 138.78 53.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.34 36.85 2.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.607 HD21 HD12 ' A' ' 79' ' ' ILE . 61.3 mt -96.59 174.24 6.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' THR . 6.0 t -97.87 140.87 31.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -42.05 -23.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.0 p-10 -90.32 -34.1 15.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.584 HG21 HD22 ' A' ' 23' ' ' LEU . 19.9 m -34.24 120.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.457 ' O ' HG22 ' A' ' 31' ' ' THR . 53.8 p -105.19 159.65 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' N ' HD12 ' A' ' 44' ' ' ILE . 45.6 mt-10 -57.98 -27.89 63.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -50.55 67.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 28' ' ' THR . 1.8 t -72.92 -17.37 61.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 79' ' ' ILE . 50.4 tp -83.21 -39.82 20.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 11.9 tttm -67.4 -56.27 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' PHE . 35.6 mm-40 -50.2 -45.66 53.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' GLU . 28.3 m -36.41 -31.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.916 ' CE1' HG21 ' A' ' 59' ' ' VAL . 11.7 m-85 -105.0 110.11 22.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.42 88.75 1.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.43 -40.9 0.96 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.546 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.6 p -43.73 165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m -111.35 -36.77 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -152.02 162.79 40.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.414 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -139.63 157.37 45.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -140.94 152.24 44.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 29' ' ' GLU . 86.4 mt -135.08 140.22 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.034 HG21 ' CE2' ' A' ' 56' ' ' PHE . 35.3 m -85.35 152.82 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.656 HG22 ' HA ' ' A' ' 53' ' ' SER . 72.7 p -138.89 155.98 47.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.429 ' CG ' ' HG2' ' A' ' 49' ' ' GLU . 28.5 t0 -71.91 158.33 36.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -94.68 -21.68 18.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HG2' ' CG ' ' A' ' 47' ' ' ASP . 8.5 pt-20 -86.19 -45.46 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 p -93.55 -31.68 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.71 37.17 52.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -130.78 165.77 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.884 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.656 ' HA ' HG22 ' A' ' 46' ' ' THR . 5.4 t -60.22 115.79 3.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 46' ' ' THR . 17.4 mtmm -60.49 -50.39 73.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.81 33.04 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 1.034 ' CE2' HG21 ' A' ' 45' ' ' VAL . 27.6 p90 -175.03 155.8 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.628 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.15 -137.67 2.32 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 20.1 m-85 -155.5 159.27 39.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.392 . . . . 0.0 110.845 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.916 HG21 ' CE1' ' A' ' 36' ' ' PHE . 71.5 t -124.4 115.15 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -77.98 142.16 38.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 59' ' ' VAL . 54.5 m-85 -134.87 152.04 51.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.584 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -57.02 -35.15 68.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.4 m -158.77 160.04 35.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.451 ' HG3' ' CG ' ' A' ' 16' ' ' LYS . 41.5 mt-10 -51.0 -46.6 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -51.2 -62.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.66 -36.57 36.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.2 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -55.26 -55.06 35.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.53 -29.66 37.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.29 -21.01 33.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.8 ttpp -73.1 -46.07 53.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.97 -31.67 70.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.26 -51.54 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.578 ' CB ' HD11 ' A' ' 86' ' ' LEU . 54.8 mmm -88.92 7.79 32.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 18.3 pt-20 -41.32 -52.41 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 36.3 m-20 -112.64 24.14 12.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.71 159.98 46.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -134.2 116.74 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.607 HD12 HD21 ' A' ' 23' ' ' LEU . 14.6 mt -84.01 135.48 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 t70 53.21 41.84 32.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.24 22.68 71.12 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -128.55 131.33 48.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -66.7 127.82 33.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.1 m -117.82 146.42 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.0 m -112.17 119.88 39.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.3 mt -94.1 128.81 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -143.47 144.53 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.545 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 64.2 m95 -63.19 130.19 43.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.886 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.549 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.3 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.952 0.406 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -84.06 -32.58 24.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 58' ' ' PHE . 4.4 m -98.32 125.58 43.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.65 HD12 ' CE2' ' A' ' 61' ' ' PHE . 13.4 mt -94.45 127.4 40.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 23.3 t80 -84.16 121.98 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG11 HD11 ' A' ' 32' ' ' LEU . 35.6 t -111.78 115.96 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -120.17 141.78 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.19 41.07 2.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.772 HD13 HG21 ' A' ' 27' ' ' THR . 91.4 mt -101.08 165.55 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' THR . 7.4 t -86.2 140.78 29.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -45.41 -21.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 0.4 OUTLIER -92.81 -29.78 15.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.772 HG21 HD13 ' A' ' 23' ' ' LEU . 3.2 m -39.11 120.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' THR . 42.6 p -104.72 156.99 17.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.512 ' N ' HD12 ' A' ' 44' ' ' ILE . 17.7 mt-10 -55.49 -24.32 30.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -66.37 -51.73 54.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 28' ' ' THR . 2.4 t -73.09 -26.3 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.582 HD13 HD11 ' A' ' 23' ' ' LEU . 68.3 tp -72.67 -36.85 68.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 14.4 tttt -69.81 -65.11 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' SER . 29.2 mt-10 -41.09 -47.45 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' GLU . 34.6 m -34.69 -39.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.62 ' CE1' HG21 ' A' ' 59' ' ' VAL . 33.9 m-85 -99.99 105.85 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.7 98.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.09 -44.79 0.94 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.407 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 59.5 p -44.78 166.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.855 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.6 m -110.57 -30.67 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -156.57 171.49 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -149.57 153.51 37.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -136.05 147.95 48.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.512 HD12 ' N ' ' A' ' 29' ' ' GLU . 37.3 mt -128.7 138.92 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.566 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 1.7 m -84.77 154.59 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.414 HG22 ' HA ' ' A' ' 53' ' ' SER . 75.5 p -140.36 154.83 46.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -72.02 156.98 38.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -94.46 -20.65 19.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -57.92 2.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.3 p -81.26 -32.95 33.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.27 41.95 36.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -132.36 146.05 51.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.414 ' HA ' HG22 ' A' ' 46' ' ' THR . 2.7 t -47.38 106.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -46.94 -48.72 21.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.79 31.25 0.21 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 26.8 p90 -173.4 155.95 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.92 0.39 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.655 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.27 -131.98 1.52 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 41.5 m-85 -160.55 153.36 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.62 HG21 ' CE1' ' A' ' 36' ' ' PHE . 41.7 t -121.13 116.67 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.11 137.58 34.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.65 ' CE2' HD12 ' A' ' 18' ' ' LEU . 74.1 m-85 -129.3 157.51 41.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.513 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -59.3 -31.04 68.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.7 m -167.88 157.63 10.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' HG2' ' C ' ' A' ' 15' ' ' SER . 11.9 mt-10 -46.66 -40.81 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -54.36 -63.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.44 ' CG ' ' OD1' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -51.18 -40.06 57.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.36 -50.52 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -54.74 -55.39 30.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -28.43 20.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.45 -20.71 31.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 75' ' ' GLU . 18.8 ttpp -75.51 -46.04 34.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.57 -31.43 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.04 -52.37 19.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.514 ' CB ' HD11 ' A' ' 86' ' ' LEU . 59.9 mmm -90.92 5.91 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LYS . 21.5 pt-20 -40.61 -49.87 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 9.7 m-20 -116.29 24.59 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.3 163.95 47.24 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.425 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -131.8 122.6 26.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.405 HG13 HG11 ' A' ' 84' ' ' VAL . 6.8 mt -92.28 135.96 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 51.93 43.15 30.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.67 25.24 70.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -133.12 132.66 41.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -66.56 131.67 46.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.416 HG12 HD23 ' A' ' 23' ' ' LEU . 19.9 m -121.29 143.59 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.6 m -109.46 119.64 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.609 HD13 ' HE2' ' A' ' 36' ' ' PHE . 1.5 mt -93.13 129.53 39.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.984 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -146.52 143.06 28.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.549 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 69.8 m95 -63.94 110.45 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.059 179.894 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.468 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 35.2 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.893 0.378 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -79.25 -29.58 42.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.487 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 12.2 m -98.71 126.91 44.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.625 HD12 ' CE1' ' A' ' 61' ' ' PHE . 12.9 mt -94.93 127.84 41.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 17.9 t80 -84.25 121.45 27.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 32' ' ' LEU . 57.8 t -113.92 114.87 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.42 152.21 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.66 38.53 4.67 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.73 HD13 HG21 ' A' ' 27' ' ' THR . 92.4 mt -101.93 154.49 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' THR . 21.4 t -81.22 140.45 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -42.07 -23.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -84.37 -38.19 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.73 HG21 HD13 ' A' ' 23' ' ' LEU . 4.9 m -36.52 121.69 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 31' ' ' THR . 34.2 p -106.1 155.56 19.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.432 ' N ' HD12 ' A' ' 44' ' ' ILE . 25.3 mt-10 -54.29 -24.79 20.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.6 -49.51 62.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 28' ' ' THR . 1.6 t -73.89 -18.11 60.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 HD11 ' A' ' 23' ' ' LEU . 55.7 tp -81.76 -38.61 25.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 14.9 tttt -67.36 -56.5 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 36' ' ' PHE . 43.5 mt-10 -51.32 -42.46 61.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -39.4 -26.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.85 ' CE1' HG21 ' A' ' 59' ' ' VAL . 13.2 m-85 -112.61 105.68 13.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -68.15 94.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.44 -44.98 0.95 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.5 p -39.42 158.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 m -103.28 -36.17 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -153.59 167.46 29.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -144.85 156.79 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 -139.77 151.15 45.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 29' ' ' GLU . 22.2 mt -135.37 132.44 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.862 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 5.0 m -73.15 156.56 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.2 p -141.99 150.0 40.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' OD2' HG23 ' A' ' 50' ' ' THR . 31.9 t0 -76.67 144.38 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.818 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.2 ptt-85 -90.12 -12.52 38.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -88.56 -36.05 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.415 HG23 ' OD2' ' A' ' 47' ' ' ASP . 4.9 p -110.46 -36.87 5.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.2 25.21 29.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 m -117.77 165.21 13.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.2 t -65.5 115.86 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -54.95 -49.22 71.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.82 32.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.862 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 41.5 p90 -173.08 152.85 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.588 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.12 -145.38 4.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.6 m-85 -152.0 143.3 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.85 HG21 ' CE1' ' A' ' 36' ' ' PHE . 59.5 t -110.83 114.9 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.71 140.82 40.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.625 ' CE1' HD12 ' A' ' 18' ' ' LEU . 62.3 m-85 -132.95 152.69 51.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -57.2 -31.3 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 m -168.29 153.3 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HG2' ' C ' ' A' ' 15' ' ' SER . 29.3 mt-10 -41.9 -44.88 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -51.57 -64.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.91 -36.35 27.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.99 67.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -53.93 -55.98 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.42 -27.7 16.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.076 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.27 -25.48 27.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HE2' ' NE1' ' A' ' 88' ' ' TRP . 21.5 ttpp -70.37 -48.28 57.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 75' ' ' GLU . 17.1 mt-10 -57.45 -35.91 70.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.32 -56.92 11.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.428 ' CB ' HD11 ' A' ' 86' ' ' LEU . 61.0 mmm -84.09 7.4 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 72' ' ' GLU . 15.4 pt-20 -39.59 -53.69 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -111.83 25.67 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.25 161.01 42.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -136.05 117.59 14.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.5 mt -87.89 137.59 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 t70 55.37 38.22 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.83 21.15 71.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -128.33 131.25 48.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -65.19 128.4 35.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.426 HG12 HD23 ' A' ' 23' ' ' LEU . 29.6 m -114.06 148.48 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.7 m -112.94 116.36 29.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.428 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.1 mt -91.63 129.65 37.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -148.18 145.83 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.468 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 77.8 m95 -67.2 119.87 12.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.88 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.434 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 2.8 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.974 0.416 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -71.66 -27.35 63.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 58' ' ' PHE . 7.2 m -102.46 123.72 46.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 mt -93.41 126.41 38.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 87' ' ' ASP . 18.7 t80 -84.16 113.83 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.576 HG11 HD11 ' A' ' 32' ' ' LEU . 40.0 t -105.33 106.59 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.168 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -116.82 145.12 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.52 30.27 5.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.615 HD13 HG21 ' A' ' 27' ' ' THR . 68.2 mt -90.98 166.66 12.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 27' ' ' THR . 13.8 t -91.6 140.66 29.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -41.71 -24.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' SER . 42.0 m-20 -86.44 -36.58 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.615 HG21 HD13 ' A' ' 23' ' ' LEU . 4.3 m -34.54 126.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' THR . 36.7 p -112.27 158.35 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.439 ' N ' HD12 ' A' ' 44' ' ' ILE . 7.4 mt-10 -57.68 -25.73 60.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.86 -50.21 65.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 28' ' ' THR . 1.7 t -74.28 -20.2 60.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.576 HD11 HG11 ' A' ' 20' ' ' VAL . 58.2 tp -78.07 -37.6 46.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 13.4 tttm -68.81 -53.29 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' PHE . 67.9 mm-40 -57.21 -41.17 78.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.4 m -38.5 -28.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.945 ' CE1' HG21 ' A' ' 59' ' ' VAL . 13.1 m-85 -110.83 109.09 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -72.24 90.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.03 -35.49 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.419 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 56.1 p -47.41 172.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.418 ' C ' ' HE2' ' A' ' 33' ' ' LYS . 29.5 m -119.06 -34.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -151.88 164.35 37.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -136.28 155.77 49.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -140.53 141.5 35.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.439 HD12 ' N ' ' A' ' 29' ' ' GLU . 13.2 mt -128.68 137.66 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.903 HG21 ' CE2' ' A' ' 56' ' ' PHE . 13.1 m -84.52 153.78 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -141.74 154.6 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -74.61 158.44 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -92.71 -14.69 27.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -97.03 -56.3 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.2 p -81.5 -31.15 33.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.78 28.27 69.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -116.27 167.14 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 t -67.22 114.3 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.512 ' HD3' ' CZ ' ' A' ' 56' ' ' PHE . 27.0 mtpt -56.66 -42.65 79.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.35 27.13 0.77 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.903 ' CE2' HG21 ' A' ' 45' ' ' VAL . 1.3 p90 -163.93 158.33 19.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -163.05 -145.21 4.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.1 m-85 -154.41 148.1 25.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.945 HG21 ' CE1' ' A' ' 36' ' ' PHE . 89.2 t -117.16 114.23 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.74 147.27 37.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.738 ' CE1' HG12 ' A' ' 59' ' ' VAL . 71.9 m-85 -138.59 158.53 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.438 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -63.93 -30.48 71.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 m -165.88 150.04 8.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' C ' ' A' ' 15' ' ' SER . 22.4 mt-10 -44.61 -38.58 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.53 -59.71 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -37.13 68.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.17 89.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -67.02 -49.18 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.93 -24.75 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.44 -31.53 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.628 ' HA ' HD12 ' A' ' 86' ' ' LEU . 23.8 ttpp -66.92 -41.01 87.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.51 -31.13 71.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.99 -49.3 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.538 ' CB ' HD11 ' A' ' 86' ' ' LEU . 56.0 mmm -87.8 14.04 9.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 14.5 pt-20 -55.27 -43.88 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 2.0 m-20 -115.79 18.32 15.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.1 162.1 51.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HB2' ' C ' ' A' ' 82' ' ' ASN . 6.7 pt-20 -135.88 116.95 14.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.551 HD12 HD21 ' A' ' 23' ' ' LEU . 25.1 mt -84.02 138.98 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.0 t70 50.83 41.96 27.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.92 26.7 71.44 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.46 ' ND2' ' HB2' ' A' ' 24' ' ' SER . 45.7 m-20 -133.21 131.64 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -65.79 130.81 44.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.4 m -119.41 149.36 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.7 m -117.81 115.8 25.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 71' ' ' LYS . 2.4 mt -89.88 121.17 31.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 19' ' ' PHE . 22.2 t0 -135.9 136.43 40.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.485 ' NE1' ' HE2' ' A' ' 71' ' ' LYS . 58.9 m95 -60.62 105.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.581 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 4.9 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -70.84 -35.13 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.483 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 28.0 m -99.99 125.02 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.623 HD12 ' CE2' ' A' ' 61' ' ' PHE . 13.2 mt -92.97 139.88 30.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 47.0 t80 -94.01 116.7 29.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t -107.61 110.6 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 3.5 pttp -118.0 148.4 42.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 37.21 4.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.486 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.532 HD13 HG21 ' A' ' 27' ' ' THR . 87.9 mt -100.4 163.6 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 27' ' ' THR . 3.6 t -85.04 138.51 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -41.36 -24.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.1 p30 -85.06 -37.42 20.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.532 HG21 HD13 ' A' ' 23' ' ' LEU . 30.8 m -35.65 118.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 31' ' ' THR . 82.3 p -104.22 160.05 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.541 ' N ' HD12 ' A' ' 44' ' ' ILE . 27.9 mt-10 -54.37 -28.46 43.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -60.83 -57.86 10.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 28' ' ' THR . 2.0 t -66.91 -19.33 65.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD13 HD11 ' A' ' 23' ' ' LEU . 51.8 tp -79.89 -36.77 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -71.52 -52.14 19.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.7 -41.32 77.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.5 m -38.58 -37.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.872 ' CE1' HG21 ' A' ' 59' ' ' VAL . 7.8 m-85 -103.99 107.57 18.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.23 93.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.9 -40.35 1.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.6 p -42.02 156.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.2 m -100.17 -35.66 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.5 mmt-85 -153.08 170.72 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.0 144.97 31.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -130.16 148.13 51.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.541 HD12 ' N ' ' A' ' 29' ' ' GLU . 71.5 mt -133.33 135.65 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.923 HG21 ' CE2' ' A' ' 56' ' ' PHE . 14.5 m -79.37 153.07 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 53' ' ' SER . 82.7 p -140.86 160.8 39.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.97 156.35 36.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.2 ttt85 -94.6 -15.27 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' HG3' HG23 ' A' ' 50' ' ' THR . 9.8 pt-20 -94.5 -48.27 6.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.418 HG23 ' HG3' ' A' ' 49' ' ' GLU . 65.1 p -92.4 -32.77 14.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.07 35.12 39.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.7 t -122.68 163.18 20.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.486 ' HA ' HG22 ' A' ' 46' ' ' THR . 8.6 t -66.58 117.28 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.792 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 43.7 mttm -61.23 -51.58 68.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.77 35.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.923 ' CE2' HG21 ' A' ' 45' ' ' VAL . 23.2 p90 -173.52 150.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.593 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.99 -143.54 3.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 15.7 m-85 -152.86 146.8 25.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.872 HG21 ' CE1' ' A' ' 36' ' ' PHE . 62.1 t -112.62 114.65 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 61' ' ' PHE . 11.0 t0 -77.57 136.91 38.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.623 ' CE2' HD12 ' A' ' 18' ' ' LEU . 68.7 m-85 -127.72 157.74 39.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.563 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.4 OUTLIER -62.66 -36.48 83.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.4 m -160.99 147.43 14.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' HG2' ' C ' ' A' ' 15' ' ' SER . 34.6 mt-10 -37.71 -51.6 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -44.29 -64.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -43.8 53.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.34 -53.2 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -55.62 -50.27 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.32 -33.15 41.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.2 -35.72 35.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.546 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.9 ttpp -57.25 -47.78 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -61.54 -29.13 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.35 -40.73 73.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.574 ' HB2' HD11 ' A' ' 86' ' ' LEU . 66.5 mmm -102.22 9.83 39.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 9.5 pt-20 -42.02 -39.68 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 4.1 t70 -123.22 17.96 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.68 160.25 52.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -133.96 116.64 15.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.508 HD12 HD21 ' A' ' 23' ' ' LEU . 24.4 mt -87.07 138.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 t70 53.84 39.15 30.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.88 21.9 69.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -129.32 135.61 48.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.939 0.4 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -66.68 127.79 33.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.3 m -115.27 142.33 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.1 m -109.5 112.1 24.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 74' ' ' MET . 2.9 mt -87.48 125.81 34.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -140.26 147.72 40.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.581 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 33.6 m95 -68.65 126.3 29.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.444 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 4.9 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.933 0.397 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -72.82 -34.37 66.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.535 HG22 ' HB3' ' A' ' 58' ' ' PHE . 5.3 m -98.02 135.05 40.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.817 HD11 ' O ' ' A' ' 67' ' ' ALA . 14.1 mt -104.31 129.91 52.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 66.4 t80 -85.72 126.51 34.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG11 HD11 ' A' ' 32' ' ' LEU . 30.8 t -115.67 115.65 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 27.1 pttt -119.35 144.9 46.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.3 41.72 2.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.476 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 27' ' ' THR . 81.2 mt -105.95 164.32 12.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.9 t -84.47 140.65 31.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -44.55 -22.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 24' ' ' SER . 1.1 p30 -88.96 -32.54 17.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.68 HG21 HD13 ' A' ' 23' ' ' LEU . 9.6 m -36.82 123.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.422 ' O ' HG22 ' A' ' 31' ' ' THR . 19.1 p -107.73 157.06 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.53 ' N ' HD12 ' A' ' 44' ' ' ILE . 15.6 mt-10 -57.24 -24.33 53.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -65.39 -51.31 61.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 28' ' ' THR . 1.4 t -71.16 -32.02 68.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.573 HD13 HD11 ' A' ' 23' ' ' LEU . 48.1 tp -67.43 -38.28 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -67.27 -54.31 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -51.36 -44.35 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 m -38.46 -31.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.739 ' CE1' HG21 ' A' ' 59' ' ' VAL . 23.4 m-85 -108.29 107.47 18.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.32 95.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.68 -40.68 1.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.531 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.424 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 97.2 p -43.25 151.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.977 0.418 . . . . 0.0 110.787 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 41' ' ' ARG . 34.0 m -92.37 -42.76 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.456 ' N ' HG23 ' A' ' 40' ' ' VAL . 38.6 mmt180 -152.63 167.44 28.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.44 158.28 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -140.18 156.54 46.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.53 HD12 ' N ' ' A' ' 29' ' ' GLU . 86.0 mt -135.97 142.67 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.97 HG21 ' CE2' ' A' ' 56' ' ' PHE . 15.6 m -84.25 152.87 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.4 p -138.04 153.69 49.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.88 158.36 30.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -17.78 22.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -92.97 -58.28 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.3 p -80.96 -26.56 36.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.97 37.03 91.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -128.19 161.86 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 t -61.84 111.77 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HD2' ' CZ ' ' A' ' 56' ' ' PHE . 79.3 mttt -52.92 -49.2 66.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.09 35.9 0.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.97 ' CE2' HG21 ' A' ' 45' ' ' VAL . 41.4 p90 -175.09 151.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.546 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.79 -144.86 4.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.5 m-85 -148.6 156.6 42.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 36' ' ' PHE . 21.4 t -123.75 120.92 61.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -85.6 143.41 28.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.708 ' CE2' HD12 ' A' ' 18' ' ' LEU . 67.1 m-85 -131.94 156.16 46.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.437 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.3 OUTLIER -66.78 -22.38 66.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 m -167.86 142.39 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HG2' ' C ' ' A' ' 15' ' ' SER . 39.7 mt-10 -42.85 -27.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.23 -47.61 76.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -34.9 77.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.817 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -66.27 -39.66 89.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -68.5 -56.72 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.97 -34.36 28.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.59 -21.87 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 25.1 ttpp -73.92 -50.46 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -55.36 -25.26 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.08 -56.01 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.565 ' CB ' HD11 ' A' ' 86' ' ' LEU . 51.9 mmm -84.21 4.36 31.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' LYS . 16.8 pt-20 -37.82 -50.78 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 75' ' ' GLU . 3.8 p30 -113.32 10.83 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.818 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.22 159.97 40.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -131.38 115.92 16.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.342 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.651 HD12 HD21 ' A' ' 23' ' ' LEU . 22.2 mt -82.6 139.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 79' ' ' ILE . 7.1 p-10 46.61 48.86 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 57.43 33.17 65.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -140.46 135.87 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.66 141.56 58.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.3 m -134.63 145.69 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.145 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.5 m -110.31 121.42 45.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.565 HD11 ' CB ' ' A' ' 74' ' ' MET . 4.3 mt -96.99 126.72 42.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -137.26 165.43 26.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.545 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 51.4 m95 -88.13 125.8 34.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.8 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.948 0.404 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -71.03 -35.26 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.445 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 6.8 m -98.05 126.0 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.809 HD12 ' CE2' ' A' ' 61' ' ' PHE . 14.0 mt -94.79 136.93 34.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 14.3 t80 -89.22 116.82 27.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.498 HG21 HD11 ' A' ' 32' ' ' LEU . 58.7 t -106.08 107.15 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -117.02 138.26 51.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.69 38.46 1.74 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.732 HD22 HG21 ' A' ' 27' ' ' THR . 63.5 mt -98.79 177.4 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 27' ' ' THR . 12.1 t -100.03 140.74 33.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -42.62 -23.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' SER . 29.3 m-20 -91.24 -32.82 15.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.732 HG21 HD22 ' A' ' 23' ' ' LEU . 73.6 m -38.61 122.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.536 ' O ' HG22 ' A' ' 31' ' ' THR . 46.9 p -104.51 160.61 14.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.575 ' N ' HD12 ' A' ' 44' ' ' ILE . 12.4 mt-10 -59.02 -26.42 64.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.14 -49.79 75.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 28' ' ' THR . 4.2 t -73.34 -19.24 61.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 20' ' ' VAL . 50.3 tp -76.74 -38.5 54.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -67.15 -58.41 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' PHE . 56.5 mt-10 -53.76 -43.37 69.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' GLU . 15.1 m -34.82 -32.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.876 ' CE1' HG21 ' A' ' 59' ' ' VAL . 20.3 m-85 -108.36 111.16 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.8 85.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.33 -39.38 0.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -45.97 171.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.6 m -121.4 -33.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -155.29 172.52 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.46 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -149.25 152.56 36.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.0 mtm105 -134.96 128.69 32.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.575 HD12 ' N ' ' A' ' 29' ' ' GLU . 72.7 mt -110.72 144.28 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.636 HG21 ' CE1' ' A' ' 56' ' ' PHE . 3.1 m -86.11 157.98 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.5 p -141.59 150.48 42.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.01 159.15 34.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -94.23 -23.65 17.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -89.84 -56.21 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 p -80.19 -31.61 38.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.37 41.82 76.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.5 t -132.06 164.85 25.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -62.34 108.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -50.53 -49.25 56.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.77 30.72 0.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.636 ' CE1' HG21 ' A' ' 45' ' ' VAL . 42.8 p90 -175.0 158.89 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.588 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.7 -132.26 1.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 53.6 m-85 -159.81 144.34 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.365 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.876 HG21 ' CE1' ' A' ' 36' ' ' PHE . 86.3 t -108.72 116.16 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -82.96 128.31 34.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.809 ' CE2' HD12 ' A' ' 18' ' ' LEU . 43.0 m-85 -119.03 157.36 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -63.37 -33.07 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.4 m -162.29 149.74 13.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -40.86 -43.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -54.24 -63.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -35.34 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.47 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -65.4 -46.54 79.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -57.05 12.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.74 -27.56 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.31 -26.0 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.541 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 23.9 ttpp -68.41 -49.92 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.14 -28.11 56.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.91 -55.31 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.536 ' CB ' HD11 ' A' ' 86' ' ' LEU . 46.2 mmm -84.3 5.21 27.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 22.6 pt-20 -40.69 -52.23 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 33.7 t70 -112.18 24.92 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.5 162.73 43.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -133.88 118.66 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.639 HD12 HD21 ' A' ' 23' ' ' LEU . 12.6 mt -86.99 135.76 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 52.35 45.16 28.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.44 22.47 63.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -129.3 133.81 47.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.14 127.78 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.442 ' CG1' HD23 ' A' ' 23' ' ' LEU . 25.0 m -118.02 145.38 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.1 m -111.93 123.04 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.603 HD13 ' HE2' ' A' ' 36' ' ' PHE . 2.3 mt -98.01 125.78 43.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -142.76 139.05 30.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.541 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 67.5 m95 -58.93 122.13 12.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.102 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 3.5 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.959 0.409 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -82.7 -33.9 27.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.479 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 16.9 m -98.31 124.65 43.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.644 HD12 ' CE1' ' A' ' 61' ' ' PHE . 12.6 mt -95.62 128.6 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -84.18 123.13 29.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.483 HG11 HD11 ' A' ' 32' ' ' LEU . 44.8 t -113.41 115.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' CG ' ' HB ' ' A' ' 85' ' ' THR . 24.6 pttt -121.09 148.65 43.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.8 44.07 3.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.427 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.544 HD21 HD12 ' A' ' 79' ' ' ILE . 88.9 mt -105.88 162.49 13.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.3 t -82.52 140.11 33.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -44.65 -22.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 24' ' ' SER . 10.2 t0 -90.0 -31.83 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.504 HG21 HD13 ' A' ' 23' ' ' LEU . 21.1 m -38.37 115.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 31' ' ' THR . 41.7 p -101.8 159.34 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -56.74 -23.42 42.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -64.92 -52.94 53.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 28' ' ' THR . 3.2 t -71.34 -29.04 64.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.493 HD12 ' CD1' ' A' ' 79' ' ' ILE . 48.6 tp -68.85 -38.18 79.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -67.19 -55.4 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' SER . 74.5 mm-40 -53.29 -44.32 68.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' GLU . 3.3 m -36.12 -37.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.9 ' CE1' HG21 ' A' ' 59' ' ' VAL . 22.5 m-85 -103.48 108.76 20.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -71.42 93.99 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.63 -38.89 1.4 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.6 p -44.54 164.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.8 m -114.35 -34.61 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -148.31 162.61 39.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.45 147.34 33.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -131.38 145.99 52.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -131.37 134.78 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.864 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 4.8 m -75.53 157.74 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.9 p -140.19 146.15 38.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 49' ' ' GLU . 30.8 t70 -75.09 159.1 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -95.89 -25.46 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.491 ' N ' ' OD2' ' A' ' 47' ' ' ASP . 9.4 tt0 -74.87 -58.94 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.6 p -86.17 -37.17 19.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.55 33.87 15.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -126.29 172.41 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.0 m -64.01 111.25 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HB2' HG23 ' A' ' 45' ' ' VAL . 19.5 mmmt -50.31 -50.65 50.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.64 31.69 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.864 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 26.0 p90 -170.99 154.27 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.599 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.52 -153.45 6.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 3.9 m-85 -148.22 138.35 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.9 HG21 ' CE1' ' A' ' 36' ' ' PHE . 92.0 t -107.85 117.3 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.43 140.85 33.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.644 ' CE1' HD12 ' A' ' 18' ' ' LEU . 79.3 m-85 -129.04 147.27 50.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -51.49 -37.62 49.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 64' ' ' GLU . 36.6 m -155.47 146.42 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.413 ' HG2' ' C ' ' A' ' 15' ' ' SER . 50.3 mt-10 -36.79 -49.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -45.48 -61.19 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.82 -42.4 58.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.63 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -59.24 -51.44 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -58.01 -57.29 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -47.69 -30.04 3.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.7 -30.48 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.532 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.2 ttpp -63.71 -47.35 81.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -61.5 -30.62 70.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.59 -49.82 61.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 44.4 mmm -94.11 10.95 31.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -39.34 -47.56 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -118.51 20.98 12.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -76.94 159.55 49.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -132.73 116.06 16.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.544 HD12 HD21 ' A' ' 23' ' ' LEU . 22.9 mt -84.91 137.7 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.7 t70 51.56 44.68 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.44 26.88 64.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -133.71 132.65 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -65.15 130.92 45.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.492 HG12 HD23 ' A' ' 23' ' ' LEU . 20.2 m -118.03 143.92 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.188 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.445 ' HB ' ' CG ' ' A' ' 21' ' ' LYS . 87.8 m -110.27 114.85 28.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mt -90.79 126.09 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -143.52 147.89 35.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.532 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 70.5 m95 -69.44 104.62 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.576 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.7 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.971 0.415 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -83.14 -33.11 26.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 58' ' ' PHE . 5.0 m -98.51 122.78 42.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.9 mt -95.24 130.95 41.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -84.23 124.7 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.473 HG11 HD11 ' A' ' 32' ' ' LEU . 41.2 t -112.03 122.43 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -126.52 149.88 49.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.56 34.49 5.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.642 HD13 HG21 ' A' ' 27' ' ' THR . 83.3 mt -98.62 157.81 16.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.356 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' THR . 10.9 t -82.56 139.51 33.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -41.41 -24.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' SER . 21.4 t0 -83.97 -37.91 21.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.642 HG21 HD13 ' A' ' 23' ' ' LEU . 18.8 m -34.89 129.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.0 p -115.97 163.28 16.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -60.93 -20.44 62.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.6 -54.89 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 t -73.15 -19.4 61.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.473 HD11 HG11 ' A' ' 20' ' ' VAL . 63.7 tp -78.52 -37.65 42.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HE3' ' C ' ' A' ' 40' ' ' VAL . 22.4 tttt -68.32 -57.22 6.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -47.99 -42.85 28.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.7 m -40.75 -28.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.829 ' CE1' HG21 ' A' ' 59' ' ' VAL . 13.5 m-85 -113.17 109.73 19.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.02 108.98 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.01 -42.43 1.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.7 p -39.63 151.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.69 HG23 ' HG2' ' A' ' 41' ' ' ARG . 3.9 m -96.73 -34.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.69 ' HG2' HG23 ' A' ' 40' ' ' VAL . 15.4 ptt180 -156.77 165.64 35.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.84 153.91 49.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -139.04 151.24 46.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.425 HG21 ' OG ' ' A' ' 53' ' ' SER . 18.8 mt -136.29 132.94 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.858 HG21 ' CE2' ' A' ' 56' ' ' PHE . 12.6 m -79.48 153.61 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 53' ' ' SER . 39.4 p -140.19 155.34 46.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -74.09 161.42 30.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -93.93 -21.77 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -88.42 -56.35 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.3 p -82.29 -24.09 34.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.64 34.64 90.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -125.63 166.62 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.581 ' HA ' HG22 ' A' ' 46' ' ' THR . 4.0 m -61.08 119.97 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 56' ' ' PHE . 29.2 mtpt -61.88 -35.7 79.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.12 20.15 1.86 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.858 ' CE2' HG21 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -158.94 153.09 23.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.631 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -153.69 -149.96 5.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 4.5 m-85 -149.42 137.01 20.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.829 HG21 ' CE1' ' A' ' 36' ' ' PHE . 58.1 t -108.42 112.47 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.431 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 3.0 m-20 -77.21 155.87 31.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.599 ' CE1' HG12 ' A' ' 59' ' ' VAL . 74.4 m-85 -145.08 144.16 30.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -47.03 -32.92 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.0 m -161.36 159.28 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' C ' ' A' ' 15' ' ' SER . 39.2 mt-10 -50.29 -37.24 35.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -58.02 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.65 -43.64 26.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -57.94 -53.01 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -52.28 -55.58 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.26 -31.48 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.09 -25.5 36.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.491 ' HE2' ' NE1' ' A' ' 88' ' ' TRP . 24.5 ttpp -70.65 -49.86 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.75 -24.87 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.66 -44.62 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.572 ' CB ' HD11 ' A' ' 86' ' ' LEU . 55.6 mmm -98.91 13.8 31.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 71' ' ' LYS . 10.5 pt-20 -52.31 -40.05 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -122.32 25.96 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.7 163.1 40.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -136.13 118.74 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.435 HD12 HD21 ' A' ' 23' ' ' LEU . 9.1 mt -87.79 137.95 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 51.13 46.09 26.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.25 21.64 62.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -126.48 133.18 51.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.369 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 127.8 33.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.44 ' CG1' HD23 ' A' ' 23' ' ' LEU . 29.7 m -114.69 149.87 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.2 m -118.12 114.65 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.572 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.1 mt -89.06 126.71 35.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -142.46 135.34 28.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.576 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 66.5 m95 -55.61 130.38 42.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.429 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 1.8 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -86.25 -33.0 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 58' ' ' PHE . 8.4 m -98.72 132.0 44.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.628 HD12 ' CE1' ' A' ' 61' ' ' PHE . 13.4 mt -102.47 130.3 49.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 21' ' ' LYS . 31.4 t80 -84.2 119.64 25.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 32' ' ' LEU . 65.9 t -109.25 122.18 63.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 10.2 pttt -127.13 147.97 50.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.19 37.36 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.579 HD22 HG21 ' A' ' 27' ' ' THR . 72.0 mt -98.53 167.33 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 27' ' ' THR . 10.0 t -91.03 140.65 29.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -42.41 -23.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' SER . 36.8 t0 -88.85 -34.49 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.579 HG21 HD22 ' A' ' 23' ' ' LEU . 22.5 m -36.17 115.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.428 ' O ' HG22 ' A' ' 31' ' ' THR . 62.3 p -101.44 158.32 16.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -54.24 -25.29 22.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -65.06 -57.76 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 28' ' ' THR . 3.7 t -65.29 -29.2 69.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.506 HD11 HG11 ' A' ' 20' ' ' VAL . 50.2 tp -70.32 -39.49 74.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -69.53 -52.03 30.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -55.44 -42.21 73.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -38.6 -36.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.944 ' CE1' HG21 ' A' ' 59' ' ' VAL . 25.1 m-85 -98.97 110.27 22.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.27 47.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.1 27.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 97.8 p -109.8 172.83 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.398 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.422 HG11 ' OD1' ' A' ' 62' ' ' ASN . 27.5 m -118.79 -35.67 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.0 mtt85 -150.73 163.25 39.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.74 155.66 45.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -144.91 150.96 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.6 mt -135.37 138.36 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.949 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 12.0 m -78.5 156.12 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.3 p -141.65 154.75 45.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -79.05 155.98 28.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -92.17 -16.69 25.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -92.35 -55.1 3.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -84.39 -34.09 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.85 40.67 35.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 m -132.13 166.29 22.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 t -63.84 109.43 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HB2' HG23 ' A' ' 45' ' ' VAL . 42.3 mttm -51.24 -47.81 62.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.78 31.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.448 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.949 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 48.1 p90 -171.55 152.05 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.884 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.411 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.98 -145.14 4.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.519 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.495 ' HB3' HG22 ' A' ' 17' ' ' THR . 46.9 m-85 -152.56 145.45 24.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.944 HG21 ' CE1' ' A' ' 36' ' ' PHE . 83.8 t -111.82 113.75 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.53 149.08 36.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.641 ' CE1' HG12 ' A' ' 59' ' ' VAL . 88.9 m-85 -139.49 153.33 47.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.422 ' OD1' HG11 ' A' ' 40' ' ' VAL . 3.9 m120 -62.08 -30.53 71.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.6 m -161.47 147.17 13.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.429 ' HG2' ' C ' ' A' ' 15' ' ' SER . 25.1 mt-10 -39.34 -45.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -48.93 -60.48 2.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -50.41 -44.4 55.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.402 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -57.34 -54.57 45.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -53.74 -57.79 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.71 -28.41 9.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.91 -21.64 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.54 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.4 ttpp -74.14 -47.24 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -57.01 -37.95 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.9 -50.68 63.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.559 ' CB ' HD11 ' A' ' 86' ' ' LEU . 63.8 mmm -87.13 4.73 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.7 pt-20 -39.77 -51.04 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 13.9 t0 -115.65 27.39 9.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.69 159.56 38.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -135.17 118.24 16.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.566 HD12 HD21 ' A' ' 23' ' ' LEU . 10.9 mt -88.28 137.77 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 t70 52.89 39.31 28.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.79 25.0 73.01 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -130.9 130.51 43.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -66.83 127.27 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.3 m -114.92 146.95 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 85.9 m -113.43 120.48 41.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.559 HD11 ' CB ' ' A' ' 74' ' ' MET . 1.2 mt -97.29 123.61 41.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.38 144.61 38.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.54 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 78.2 m95 -64.02 121.32 13.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.892 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.9 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -60.98 -38.02 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.482 HG22 ' HB3' ' A' ' 58' ' ' PHE . 7.9 m -97.98 128.03 44.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.54 HD12 ' CE1' ' A' ' 61' ' ' PHE . 11.0 mt -95.09 140.77 29.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -94.14 119.9 33.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.416 HG11 HD11 ' A' ' 32' ' ' LEU . 41.3 t -110.74 120.57 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -126.69 147.88 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.85 29.41 6.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.648 HD21 HD12 ' A' ' 79' ' ' ILE . 84.9 mt -91.22 165.43 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.321 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 27' ' ' THR . 17.0 t -88.43 140.69 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -42.6 -23.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' THR . 81.2 m-20 -89.05 -33.86 16.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.555 HG21 HD22 ' A' ' 23' ' ' LEU . 22.5 m -34.31 121.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' HG22 ' A' ' 31' ' ' THR . 33.1 p -106.43 157.89 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.495 ' N ' HD12 ' A' ' 44' ' ' ILE . 9.1 mt-10 -56.89 -25.4 56.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -64.96 -49.07 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 28' ' ' THR . 3.7 t -77.23 -24.15 51.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.132 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.521 HD13 HD11 ' A' ' 23' ' ' LEU . 58.5 tp -76.69 -33.51 58.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 12.7 tttm -72.7 -60.04 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' PHE . 8.4 mm-40 -48.61 -45.69 38.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' GLU . 18.2 m -36.4 -32.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.608 ' CE1' HG21 ' A' ' 59' ' ' VAL . 18.8 m-85 -106.93 100.99 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.74 98.62 0.93 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.11 -35.43 1.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.1 p -51.06 168.74 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.5 m -117.28 -28.24 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -154.51 160.7 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -141.33 146.22 36.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.3 mmt-85 -131.91 151.59 51.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 29' ' ' GLU . 63.9 mt -134.07 132.37 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.9 HG21 ' CE2' ' A' ' 56' ' ' PHE . 5.3 m -82.38 157.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 53' ' ' SER . 49.2 p -141.54 170.47 15.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 49' ' ' GLU . 30.2 t0 -71.87 152.62 42.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -90.99 -3.53 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.402 ' H ' ' CG ' ' A' ' 47' ' ' ASP . 16.3 tp10 -104.37 -58.2 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.9 p -90.17 -34.91 15.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.9 22.79 40.93 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 p -98.99 152.09 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.486 ' HA ' HG22 ' A' ' 46' ' ' THR . 5.9 t -55.73 117.21 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 4.4 mtpm? -64.07 -43.83 94.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.25 32.02 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.9 ' CE2' HG21 ' A' ' 45' ' ' VAL . 29.9 p90 -172.88 154.51 2.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.65 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.11 -135.26 2.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 27.1 m-85 -156.81 149.2 23.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.741 HG12 ' CE1' ' A' ' 61' ' ' PHE . 95.4 t -116.02 113.74 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -80.47 135.1 36.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.741 ' CE1' HG12 ' A' ' 59' ' ' VAL . 70.3 m-85 -127.92 145.32 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -47.79 -36.31 11.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' GLU . 19.4 m -161.99 148.21 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' SER . 17.3 mt-10 -36.12 -53.28 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -44.04 -62.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.64 -41.35 42.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.06 -50.1 75.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -54.66 -56.71 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.09 -28.1 6.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.9 -25.67 26.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.536 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 22.7 ttpp -69.38 -49.79 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -57.51 -35.69 70.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.88 -53.78 35.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.409 ' CB ' HD11 ' A' ' 86' ' ' LEU . 73.6 mmm -87.38 6.34 34.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 71' ' ' LYS . 20.2 pt-20 -39.53 -50.12 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -117.22 28.54 8.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.07 162.82 40.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.76 120.4 17.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.648 HD12 HD21 ' A' ' 23' ' ' LEU . 20.5 mt -88.36 137.15 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t0 51.5 38.14 21.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.05 26.51 74.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.505 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -132.23 129.88 40.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -65.24 129.35 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.7 m -117.84 143.87 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.5 m -108.96 123.36 48.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.409 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.0 mt -99.17 127.6 45.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.1 145.23 32.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.536 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 64.2 m95 -65.64 103.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -41.51 103.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -139.67 132.84 29.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.813 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.28 135.46 1.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 p -134.81 167.45 20.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.809 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 p -136.29 140.63 43.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.82 -160.65 29.42 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -20.03 35.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 72.68 33.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.63 171.27 14.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -66.52 -50.64 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.7 p -108.09 167.2 10.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -57.83 150.76 46.78 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.548 0.689 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 179.12 3.93 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.427 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 1.8 t -108.54 155.66 20.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -82.54 -32.35 28.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 5.0 m -98.3 129.65 45.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' CD2' ' HD3' ' A' ' 71' ' ' LYS . 12.5 mt -97.28 129.84 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -84.88 118.95 24.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.407 HG11 HD11 ' A' ' 32' ' ' LEU . 59.6 t -108.49 112.72 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -120.6 139.77 52.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.54 36.12 2.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.912 HD21 HD12 ' A' ' 79' ' ' ILE . 82.7 mt -96.25 176.48 6.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 27' ' ' THR . 4.5 t -98.55 140.68 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -42.97 -23.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -90.99 -32.46 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.649 HG21 HD22 ' A' ' 23' ' ' LEU . 55.3 m -38.83 115.32 0.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.565 ' O ' HG22 ' A' ' 31' ' ' THR . 69.1 p -100.81 155.92 17.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.797 ' N ' HD12 ' A' ' 44' ' ' ILE . 23.0 mt-10 -50.68 -26.06 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -53.8 47.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.647 HG21 ' OD2' ' A' ' 80' ' ' ASP . 7.6 t -68.88 -24.48 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.542 HD13 HD11 ' A' ' 23' ' ' LEU . 48.3 tp -75.63 -38.2 59.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -66.07 -61.8 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' SER . 4.1 mm-40 -48.69 -44.4 37.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' GLU . 19.5 m -35.78 -37.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.704 ' CE1' HG21 ' A' ' 59' ' ' VAL . 29.9 m-85 -106.11 103.17 12.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.2 97.92 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.7 -35.71 1.76 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.449 ' HB3' ' CE2' ' A' ' 61' ' ' PHE . 78.6 p -49.44 165.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.2 m -109.25 -31.55 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -154.01 168.98 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.37 149.91 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -135.39 148.98 49.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.797 HD12 ' N ' ' A' ' 29' ' ' GLU . 53.4 mt -135.88 135.86 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.808 HG21 ' CE2' ' A' ' 56' ' ' PHE . 4.6 m -80.16 152.92 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.9 p -138.24 146.21 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -73.78 152.7 40.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -94.31 -19.49 20.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -85.79 -54.09 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.5 p -87.45 -36.77 17.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.199 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.32 30.16 38.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -124.1 153.51 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 t -49.82 112.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.594 ' HB2' HG23 ' A' ' 45' ' ' VAL . 22.4 mmmt -52.01 -46.51 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.85 23.78 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.808 ' CE2' HG21 ' A' ' 45' ' ' VAL . 3.5 p90 -164.65 151.44 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.652 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.81 -143.86 3.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.652 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 8.3 m-85 -152.7 156.03 38.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.856 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.704 HG21 ' CE1' ' A' ' 36' ' ' PHE . 75.3 t -125.38 110.47 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.52 137.03 39.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.661 ' CE1' HG12 ' A' ' 59' ' ' VAL . 86.2 m-85 -127.26 157.34 40.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -58.09 -36.19 72.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.6 m -158.93 156.92 30.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.427 ' HG2' ' C ' ' A' ' 15' ' ' SER . 16.5 mt-10 -47.39 -40.55 17.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -53.28 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.82 -42.11 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.74 -53.89 53.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -54.53 -57.88 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.4 -28.84 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.71 -27.94 26.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 19.4 ttpp -66.37 -46.9 75.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 12.3 mt-10 -59.97 -36.82 77.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.44 -52.52 57.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 50.5 mmm -87.75 6.87 32.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 13.7 pt-20 -39.72 -54.0 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -111.37 26.2 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.73 157.46 34.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.425 ' HB2' ' C ' ' A' ' 82' ' ' ASN . 9.6 pt-20 -130.72 116.25 17.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.912 HD12 HD21 ' A' ' 23' ' ' LEU . 33.6 mt -82.68 138.12 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.647 ' OD2' HG21 ' A' ' 31' ' ' THR . 2.1 m-20 50.17 45.33 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.21 27.69 67.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.524 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.425 ' C ' ' HB2' ' A' ' 78' ' ' GLU . 67.7 m-20 -134.15 132.23 39.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -65.86 131.25 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.415 ' CG1' HD23 ' A' ' 23' ' ' LEU . 31.0 m -121.13 146.65 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.8 m -112.13 119.29 37.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 71' ' ' LYS . 1.8 mt -94.12 125.97 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -142.84 144.97 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.543 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 74.5 m95 -64.71 117.18 7.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.71 91.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 28.1 tttm -132.56 139.71 35.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 90' ' ' LYS . 54.0 Cg_endo -69.73 -171.41 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -134.86 -55.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 133.05 -162.1 24.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -78.05 3.19 15.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.72 -71.34 0.17 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -168.88 69.26 0.16 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.2 m -121.14 129.35 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.16 -88.86 0.15 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.47 5.1 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 m -156.22 175.4 14.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.6 t -104.01 -58.69 1.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.466 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -80.38 -54.54 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -73.13 108.22 5.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.28 70.6 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.444 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 p -87.82 159.45 18.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -120.8 163.14 18.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.29 142.59 5.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.88 7.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.226 . . . . 0.0 112.356 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -116.39 42.79 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.59 -46.64 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.086 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -110.29 -45.48 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.4 p -155.06 142.4 19.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -59.44 145.52 81.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -172.98 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.8 m -145.3 136.28 24.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -58.23 -33.94 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.477 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 7.6 m -101.72 126.4 48.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.803 HD12 ' CE2' ' A' ' 61' ' ' PHE . 15.4 mt -97.01 131.5 43.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -84.26 119.41 25.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.449 HG11 HD11 ' A' ' 32' ' ' LEU . 66.2 t -109.96 112.43 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -119.7 147.36 44.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.71 42.42 2.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.606 HD21 HD12 ' A' ' 79' ' ' ILE . 58.6 mt -105.45 169.15 8.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' THR . 19.0 t -88.54 140.59 29.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -43.06 -23.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 27' ' ' THR . 38.2 m-20 -88.93 -33.45 17.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.538 HG21 HD22 ' A' ' 23' ' ' LEU . 95.4 m -34.86 114.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.434 ' O ' HG22 ' A' ' 31' ' ' THR . 67.5 p -102.61 153.03 20.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -49.26 -27.78 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.56 -51.65 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.675 HG21 ' OD2' ' A' ' 80' ' ' ASP . 2.4 t -74.47 -16.79 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 HG12 ' A' ' 44' ' ' ILE . 45.9 tp -81.05 -36.84 29.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -71.58 -52.59 17.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 36' ' ' PHE . 22.0 mt-10 -54.89 -43.42 73.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -38.51 -30.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.815 ' CE1' HG21 ' A' ' 59' ' ' VAL . 17.9 m-85 -109.6 106.15 15.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.37 83.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.2 -38.15 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.9 p -47.57 161.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -111.29 -35.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -145.7 159.2 43.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.17 150.82 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -135.84 152.44 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.469 HG12 HD22 ' A' ' 32' ' ' LEU . 30.2 mt -136.11 130.12 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.856 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 2.2 m -72.12 153.35 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 p -141.97 152.99 43.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.63 158.27 35.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -93.94 -15.0 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -100.31 -52.01 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.2 p -84.77 -28.37 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.69 42.72 95.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -132.26 156.98 45.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.364 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -58.56 103.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 5.4 mtpm? -47.06 -46.41 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.15 31.02 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.856 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 18.0 p90 -171.96 153.65 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.65 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.09 -140.12 2.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 10.9 m-85 -152.06 158.92 43.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.815 HG21 ' CE1' ' A' ' 36' ' ' PHE . 46.2 t -128.59 117.09 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 61' ' ' PHE . 23.0 t0 -78.6 143.25 36.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.803 ' CE2' HD12 ' A' ' 18' ' ' LEU . 65.9 m-85 -137.23 145.0 43.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -48.36 -37.76 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.0 m -161.43 153.21 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -43.68 -44.74 6.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -49.42 -62.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -53.24 -40.76 64.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.566 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -59.22 -44.53 92.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -60.66 -54.89 39.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -31.71 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.77 -29.9 32.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 19.8 ttpp -65.12 -46.69 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 75' ' ' GLU . 9.2 mt-10 -61.39 -39.33 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.55 -52.32 64.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.5 mmm -89.04 8.63 28.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 72' ' ' GLU . 16.9 pt-20 -40.68 -52.98 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 75' ' ' GLU . 2.9 p30 -111.33 25.68 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.28 161.84 43.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -134.31 116.36 15.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.606 HD12 HD21 ' A' ' 23' ' ' LEU . 19.0 mt -85.11 134.5 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.07 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.675 ' OD2' HG21 ' A' ' 31' ' ' THR . 1.7 m-20 55.67 38.6 30.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.6 20.32 71.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -126.99 133.98 50.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -66.33 128.06 34.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG1' HD23 ' A' ' 23' ' ' LEU . 29.2 m -116.19 147.91 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.4 m -113.85 116.25 29.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mt -91.58 125.39 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.3 141.71 32.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.519 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 52.8 m95 -61.59 106.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -34.3 144.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.9 mmtm -112.8 145.98 34.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 132.01 22.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.727 2.285 . . . . 0.0 112.35 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -69.12 107.7 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.68 149.35 3.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -156.13 176.55 12.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.71 -167.91 21.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.13 47.92 0.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.9 p -50.28 116.2 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.77 82.12 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 172.1 13.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 87.7 p -64.08 121.73 14.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.7 p -174.85 168.57 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.482 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -81.29 -52.41 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -102.64 -54.53 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.56 -127.13 2.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -103.97 159.62 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.853 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 p -97.25 -46.12 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.22 -157.43 24.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 150.92 68.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -80.97 164.7 22.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.22 -46.85 26.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -68.04 -46.99 69.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 t -101.91 132.72 47.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -104.12 143.0 25.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.409 ' HG2' ' CD ' ' A' ' 64' ' ' GLU . 53.1 Cg_endo -69.77 -168.74 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.349 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.44 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 2.2 m -138.35 125.22 21.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -56.07 -33.27 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.485 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 11.9 m -99.59 129.96 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.58 HD12 ' CE2' ' A' ' 61' ' ' PHE . 12.4 mt -101.04 134.42 44.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -86.35 119.81 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.625 HG21 HD11 ' A' ' 32' ' ' LEU . 62.9 t -108.56 118.91 57.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -125.11 152.06 44.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.54 31.05 7.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.445 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.813 HD22 HG21 ' A' ' 27' ' ' THR . 87.4 mt -90.32 177.14 6.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.323 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 27' ' ' THR . 33.2 t -102.48 140.78 36.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -42.36 -23.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 24' ' ' SER . 14.1 m-20 -94.23 -31.07 14.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.813 HG21 HD22 ' A' ' 23' ' ' LEU . 53.4 m -39.92 110.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.626 ' O ' HG22 ' A' ' 31' ' ' THR . 58.9 p -92.33 158.69 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.48 ' HG2' ' N ' ' A' ' 44' ' ' ILE . 22.0 mt-10 -55.44 -27.83 50.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -60.46 -49.34 77.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 28' ' ' THR . 5.2 t -72.63 -20.57 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.625 HD11 HG21 ' A' ' 20' ' ' VAL . 51.4 tp -76.54 -39.51 52.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 13.4 tttt -69.12 -56.97 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 36' ' ' PHE . 7.1 mm-40 -49.88 -46.7 51.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' GLU . 21.3 m -35.27 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.917 ' CE1' HG21 ' A' ' 59' ' ' VAL . 19.2 m-85 -106.78 112.68 25.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -74.27 93.63 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.24 -38.39 1.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -42.95 164.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.34 -37.11 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -155.02 171.08 20.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -146.82 157.67 43.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -141.59 148.99 40.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.48 ' N ' ' HG2' ' A' ' 29' ' ' GLU . 23.3 mt -130.62 134.67 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.555 HG21 ' CE2' ' A' ' 56' ' ' PHE . 1.4 m -79.69 156.35 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.7 p -140.31 154.59 46.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -75.17 164.41 26.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -94.72 -31.21 13.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.64 -58.43 2.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.9 p -77.14 -32.27 56.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.1 45.43 82.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 t -138.15 162.43 34.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -53.56 108.01 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 29.6 mtmt -53.73 -40.03 65.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.47 27.77 0.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.503 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.555 ' CE2' HG21 ' A' ' 45' ' ' VAL . 12.9 p90 -173.7 155.31 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.634 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.83 -132.47 1.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 38.4 m-85 -160.73 141.65 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.917 HG21 ' CE1' ' A' ' 36' ' ' PHE . 48.1 t -109.01 111.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.64 133.82 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.58 ' CE2' HD12 ' A' ' 18' ' ' LEU . 40.2 m-85 -121.64 160.39 24.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.46 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -68.07 -24.71 65.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 m -162.08 164.33 28.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' CD ' ' HG2' ' A' ' 14' ' ' PRO . 21.1 mt-10 -64.74 -42.03 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.0 -52.94 63.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.6 -37.61 81.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.537 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -61.96 -35.9 79.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -69.92 -55.01 10.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.23 -27.85 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.88 -21.57 31.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.518 ' HB3' ' HZ3' ' A' ' 71' ' ' LYS . 1.1 ttpm? -73.79 -43.92 57.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.83 -31.2 70.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.4 -44.69 57.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.609 ' CB ' HD11 ' A' ' 86' ' ' LEU . 43.9 mmm -96.19 17.1 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.1 pt-20 -51.67 -50.4 60.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.437 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 22.2 p-10 -112.84 16.89 19.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.3 162.87 53.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -135.41 117.54 15.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.622 HD12 HD21 ' A' ' 23' ' ' LEU . 11.5 mt -85.4 137.67 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 48.69 49.52 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.94 26.81 61.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -132.8 132.53 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -68.62 131.67 45.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.9 m -122.47 154.92 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 100.0 m -123.21 117.93 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.679 HD13 ' HE2' ' A' ' 36' ' ' PHE . 1.8 mt -89.68 126.88 35.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -141.91 135.15 29.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.451 ' O ' ' C ' ' A' ' 89' ' ' ALA . 67.5 m95 -57.56 102.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -33.92 105.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 6.9 ttmt -109.94 139.2 21.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 90' ' ' LYS . 53.9 Cg_endo -69.72 120.65 7.41 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -106.28 117.6 34.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.22 96.81 2.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.9 138.81 24.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -76.62 -153.4 5.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.18 101.32 0.38 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.536 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 98' ' ' GLY . 36.1 t -71.02 84.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.826 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' SER . . . 36.1 61.74 0.78 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 97.26 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.747 2.298 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.3 t -123.6 129.78 51.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.6 m -100.83 106.61 18.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 53.12 42.27 32.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 0.0 110.919 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -131.53 110.77 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.51 105.9 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -87.03 147.75 25.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -100.23 77.15 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.54 -156.64 25.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 138.67 38.45 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -86.74 100.86 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.72 164.06 26.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -79.25 -55.33 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.9 m -121.47 -42.94 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -144.92 148.08 37.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.99 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 4.7 t -121.52 146.43 46.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -73.01 -29.48 63.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.4 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 3.1 m -103.57 129.53 50.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.516 HD12 ' CE2' ' A' ' 61' ' ' PHE . 12.3 mt -95.73 136.91 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 75.5 t80 -90.1 118.13 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -107.81 115.07 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 23.8 pttt -123.43 143.08 50.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.94 38.2 2.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.671 HD11 HD13 ' A' ' 32' ' ' LEU . 80.1 mt -100.12 161.79 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' THR . 7.4 t -83.33 140.71 32.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -41.91 -24.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 27.8 m-20 -85.62 -36.29 20.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.567 HG21 HD22 ' A' ' 23' ' ' LEU . 93.5 m -35.6 120.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.9 p -108.57 158.69 17.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -56.03 -23.29 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -66.5 -53.04 39.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 t -70.4 -31.98 69.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.671 HD13 HD11 ' A' ' 23' ' ' LEU . 21.6 tp -67.53 -37.96 83.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 14.1 tttt -67.95 -53.76 23.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.92 -39.58 81.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -38.47 -34.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.832 ' CE1' HG21 ' A' ' 59' ' ' VAL . 28.3 m-85 -105.69 102.07 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.42 90.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.98 -36.84 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.429 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 60.3 p -46.29 162.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.38 -31.07 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -152.49 168.76 24.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -151.76 153.96 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -140.14 156.47 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.1 mt -136.22 129.81 47.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.033 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 8.9 m -73.65 151.98 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.7 p -140.17 156.06 46.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -77.77 153.88 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.811 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.21 -21.29 23.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -89.87 -58.16 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.2 p -77.55 -34.77 53.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.06 40.53 50.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 t -132.17 175.06 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -69.61 115.61 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.523 ' HB2' HG23 ' A' ' 45' ' ' VAL . 40.4 mttm -61.71 -48.13 82.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.77 33.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 1.033 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 39.3 p90 -174.42 151.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.886 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.95 -154.68 6.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.4 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 30.9 m-85 -138.91 142.53 38.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.832 HG21 ' CE1' ' A' ' 36' ' ' PHE . 51.8 t -112.69 111.71 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.69 140.27 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 59' ' ' VAL . 63.3 m-85 -133.37 144.99 49.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -45.46 -31.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.2 m -165.88 162.25 18.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -49.74 -41.71 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -54.29 -62.17 1.83 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -46.64 -43.72 17.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.46 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -58.58 -48.45 80.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -56.67 -51.74 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.09 -28.39 4.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.053 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.21 -29.21 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.637 ' HA ' HD12 ' A' ' 86' ' ' LEU . 22.3 ttpp -67.49 -45.57 75.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.85 -34.07 72.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.89 -58.15 3.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.542 ' CB ' HD11 ' A' ' 86' ' ' LEU . 63.8 mmm -77.09 6.31 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 15.5 pt-20 -43.53 -44.42 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 63.7 m-20 -119.44 20.84 12.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -75.0 162.76 53.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.64 117.8 13.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.863 0.363 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.526 HD12 HD21 ' A' ' 23' ' ' LEU . 16.5 mt -88.34 140.25 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.2 t0 52.66 41.04 31.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.49 23.11 68.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -130.93 134.96 47.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.388 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -65.93 136.06 55.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.7 m -123.63 146.73 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -115.2 117.56 30.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 71' ' ' LYS . 2.1 mt -93.27 121.19 34.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.38 137.48 40.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.485 ' NE1' ' HE2' ' A' ' 71' ' ' LYS . 66.6 m95 -57.75 118.0 4.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.21 97.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -84.03 152.4 62.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 135.32 30.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.648 2.232 . . . . 0.0 112.327 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -44.44 104.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.63 126.83 9.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -108.78 40.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.908 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.31 -77.22 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.537 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 45.48 -159.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.7 t -133.15 155.37 49.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.379 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.72 -171.83 22.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -14.89 36.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 m -45.89 157.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 t 66.92 42.21 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.445 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -96.85 148.29 23.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -95.31 -41.42 9.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.1 -129.03 1.01 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 p -126.75 142.43 51.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -56.11 -63.52 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.58 -176.11 19.6 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 2.89 3.15 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -84.54 -37.7 20.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ARG . . . -71.94 72.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' ALA . 56.2 mtp180 35.07 50.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 p -140.24 138.97 35.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.44 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 9.4 tt0 -82.41 141.42 45.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 13' ' ' GLN . 53.0 Cg_endo -69.79 171.72 13.98 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -106.36 152.41 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -83.81 -33.59 24.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 58' ' ' PHE . 14.5 m -98.43 124.3 43.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.663 HD11 ' O ' ' A' ' 67' ' ' ALA . 18.2 mt -92.48 144.04 25.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -97.31 114.24 25.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 32' ' ' LEU . 26.8 t -104.78 113.78 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -122.71 139.38 54.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.47 34.53 2.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.674 HD21 HD12 ' A' ' 79' ' ' ILE . 67.6 mt -97.12 170.24 9.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.347 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' THR . 21.4 t -89.61 140.71 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -44.14 -22.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 24' ' ' SER . 29.9 t70 -92.28 -30.8 15.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.672 HG21 HD22 ' A' ' 23' ' ' LEU . 97.2 m -38.88 116.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 31' ' ' THR . 55.6 p -98.37 162.95 12.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.597 ' N ' HD12 ' A' ' 44' ' ' ILE . 25.4 mt-10 -60.59 -22.68 63.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.96 -48.74 67.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.629 HG21 ' OD2' ' A' ' 80' ' ' ASP . 2.5 t -75.38 -20.71 58.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.598 HD13 HD11 ' A' ' 23' ' ' LEU . 53.8 tp -78.31 -36.27 46.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -71.43 -54.87 9.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' SER . 9.1 mm-40 -50.61 -44.3 57.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' GLU . 48.9 m -37.6 -36.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.86 ' CE1' HG21 ' A' ' 59' ' ' VAL . 17.7 m-85 -102.95 102.7 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -67.23 99.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.73 -36.23 2.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.556 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 48.4 p -44.04 167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.939 0.399 . . . . 0.0 110.848 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 41' ' ' ARG . 35.5 m -109.88 -39.59 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.402 ' N ' HG23 ' A' ' 40' ' ' VAL . 37.4 mmt180 -154.31 170.85 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.99 160.74 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -145.85 136.53 24.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.597 HD12 ' N ' ' A' ' 29' ' ' GLU . 70.4 mt -117.99 137.52 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.038 HG21 ' CE2' ' A' ' 56' ' ' PHE . 15.2 m -85.76 154.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.4 p -135.96 169.05 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.53 155.93 24.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -94.68 -14.04 25.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -99.11 -41.24 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.0 p -98.45 -20.79 16.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.09 29.33 74.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -120.2 162.29 19.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.9 m -64.6 117.38 7.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -61.84 -51.6 67.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.32 37.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 1.038 ' CE2' HG21 ' A' ' 45' ' ' VAL . 35.0 p90 -174.96 158.65 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.634 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -159.16 -133.24 1.48 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 37.7 m-85 -160.95 142.91 12.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.86 HG21 ' CE1' ' A' ' 36' ' ' PHE . 66.9 t -109.82 111.66 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.65 144.01 31.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 39' ' ' SER . 59.8 m-85 -131.78 172.27 12.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -84.63 -23.59 29.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' GLU . 67.5 m -164.67 135.12 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' SER . 30.8 mp0 -37.61 -42.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 7.7 pt-20 -46.53 -50.11 17.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.509 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 9.8 m-20 -68.8 -38.1 79.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.663 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -62.2 -34.66 76.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -75.67 -55.27 5.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.69 -35.42 55.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.34 -22.44 51.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 25.1 ttpp -73.28 -50.52 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 75' ' ' GLU . 17.9 mt-10 -54.92 -28.19 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.56 -45.43 25.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.652 ' CB ' HD11 ' A' ' 86' ' ' LEU . 48.9 mmm -93.31 12.43 24.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HG3' ' CG ' ' A' ' 76' ' ' ASP . 12.6 pt-20 -51.04 -43.58 60.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.404 ' CG ' ' HG3' ' A' ' 75' ' ' GLU . 36.8 m-20 -118.06 22.84 11.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.47 159.51 40.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -131.53 119.22 21.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.674 HD12 HD21 ' A' ' 23' ' ' LEU . 9.8 mt -87.61 133.88 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.629 ' OD2' HG21 ' A' ' 31' ' ' THR . 13.9 m-20 55.58 41.71 30.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.05 18.61 67.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.46 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -125.83 131.31 52.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -65.52 132.58 49.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.5 m -121.53 147.55 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.2 m -115.72 112.55 22.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.652 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.4 mt -88.06 126.25 35.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -139.45 141.34 37.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.535 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 61.2 m95 -60.52 111.05 1.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.15 162.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -74.84 143.89 78.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 99.4 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.397 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -52.27 126.03 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 164.75 95.63 0.1 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -168.41 153.52 6.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.72 161.64 20.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 163.27 -156.64 28.5 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.7 m -97.05 94.65 7.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.915 0.388 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.3 85.94 0.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -179.22 2.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.8 t -147.77 150.23 33.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -151.62 148.45 27.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -90.98 133.19 35.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 p -106.38 163.7 12.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.16 -163.28 10.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.2 p -132.74 152.69 51.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -115.98 163.84 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.77 145.63 4.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.51 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 -24.36 29.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.725 2.284 . . . . 0.0 112.294 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -46.96 -67.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.86 39.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -154.23 144.6 22.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' GLN . 1.3 t -43.63 165.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.468 ' NE2' ' OE2' ' A' ' 64' ' ' GLU . 15.4 tt0 -37.28 142.3 0.4 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.599 0.714 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 13' ' ' GLN . 53.5 Cg_endo -69.82 -166.07 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.679 2.252 . . . . 0.0 112.316 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.416 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 3.0 m -129.54 146.21 51.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -69.76 -31.29 69.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.479 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 4.1 m -101.69 121.61 42.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.421 HD21 ' CZ3' ' A' ' 88' ' ' TRP . 21.2 mt -93.59 132.24 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -84.45 121.33 27.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.558 HG11 HD11 ' A' ' 32' ' ' LEU . 52.2 t -110.3 114.08 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -122.2 142.65 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.33 30.5 4.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 27' ' ' THR . 83.9 mt -90.81 174.77 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.7 t -97.79 140.67 31.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -43.21 -23.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.9 m-20 -93.04 -30.78 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.778 HG21 HD22 ' A' ' 23' ' ' LEU . 55.5 m -41.44 112.01 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.443 ' C ' HD12 ' A' ' 44' ' ' ILE . 52.3 p -94.16 164.77 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.487 ' N ' HD12 ' A' ' 44' ' ' ILE . 10.9 mt-10 -62.7 -21.51 65.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.68 -49.64 57.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 t -76.05 -16.75 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.558 HD11 HG11 ' A' ' 20' ' ' VAL . 61.9 tp -82.67 -35.61 26.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.951 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 13.0 tttm -70.22 -57.27 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -47.81 -43.78 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 m -40.4 -32.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.833 ' CE1' HG21 ' A' ' 59' ' ' VAL . 26.9 m-85 -106.55 103.3 12.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.03 109.28 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.81 -42.6 1.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.4 p -41.7 159.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.739 HG23 ' HG2' ' A' ' 41' ' ' ARG . 6.1 m -101.63 -34.06 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.739 ' HG2' HG23 ' A' ' 40' ' ' VAL . 11.5 ptt180 -156.86 167.07 31.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -142.98 153.04 42.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -137.46 152.08 49.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.487 HD12 ' N ' ' A' ' 29' ' ' GLU . 19.1 mt -134.93 134.77 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.595 HG21 ' CE2' ' A' ' 56' ' ' PHE . 1.8 m -76.44 156.1 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.0 p -140.03 152.07 45.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.77 152.76 39.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -92.72 -9.4 40.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -102.18 -53.13 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.9 p -88.14 -24.49 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.94 33.82 80.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -123.86 156.08 36.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 m -56.24 107.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 45' ' ' VAL . 49.7 mtpt -46.43 -45.09 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.19 28.49 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.595 ' CE2' HG21 ' A' ' 45' ' ' VAL . 27.9 p90 -171.03 154.88 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.549 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.54 -145.03 4.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.549 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 16.4 m-85 -150.12 139.63 21.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.833 HG21 ' CE1' ' A' ' 36' ' ' PHE . 78.1 t -112.3 117.15 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 56.3 m-20 -80.91 150.41 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.521 ' CE1' HG12 ' A' ' 59' ' ' VAL . 71.4 m-85 -138.72 145.84 40.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -51.59 -29.34 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.5 m -163.68 151.38 12.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.468 ' OE2' ' NE2' ' A' ' 13' ' ' GLN . 19.2 mt-10 -43.38 -46.04 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -51.55 -60.16 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.9 -44.74 19.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -59.38 -48.0 83.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -56.58 -49.47 74.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -26.15 27.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.49 -22.0 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.644 ' HA ' HD12 ' A' ' 86' ' ' LEU . 17.9 ttpp -77.27 -40.39 44.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.02 -29.35 70.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.26 -48.11 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.589 ' CB ' HD11 ' A' ' 86' ' ' LEU . 61.5 mmm -86.17 10.06 15.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -50.56 -42.17 55.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -119.65 15.12 12.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.11 161.06 54.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -133.92 118.42 17.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.604 HD12 HD21 ' A' ' 23' ' ' LEU . 9.0 mt -86.94 136.87 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 49.61 49.48 19.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.26 26.81 59.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -132.97 130.82 40.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -67.0 130.76 44.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.2 m -119.35 151.27 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.4 m -119.71 119.49 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 71' ' ' LYS . 1.5 mt -93.42 127.23 38.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.23 133.3 24.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.482 ' NE1' ' HE2' ' A' ' 71' ' ' LYS . 70.1 m95 -54.85 121.52 8.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.1 102.7 2.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' CD ' ' HD2' ' A' ' 91' ' ' PRO . 11.1 tppt? -64.67 137.15 97.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.581 0.705 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HD2' ' CD ' ' A' ' 90' ' ' LYS . 53.6 Cg_endo -69.79 110.93 2.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.61 2.207 . . . . 0.0 112.353 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.05 175.48 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.36 -161.0 30.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -73.55 136.75 44.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.36 -119.29 2.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.15 45.68 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 85.9 p -162.84 170.62 17.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.74 163.09 30.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 178.38 4.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.647 2.232 . . . . 0.0 112.314 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.6 p -108.21 -45.19 3.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -47.15 134.59 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -96.62 -49.36 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 110.815 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -74.69 121.11 21.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.63 -101.24 0.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -142.44 133.66 26.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 p -63.66 152.9 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.93 166.67 52.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -23.01 31.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.262 . . . . 0.0 112.405 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -83.84 38.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.02 175.01 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -43.25 -50.7 6.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.3 m -81.11 100.33 8.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -62.62 152.09 82.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -173.38 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.533 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 8.9 t -139.08 152.63 47.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -78.4 -34.27 48.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.428 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 18.4 m -98.34 125.95 43.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' A' ' 61' ' ' PHE . 11.2 mt -97.22 137.26 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 17.2 t80 -88.55 119.72 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 32' ' ' LEU . 46.3 t -110.75 108.9 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -119.74 138.83 53.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.43 37.26 1.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.71 HD22 HG21 ' A' ' 27' ' ' THR . 35.3 mt -99.93 175.79 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.8 t -94.88 140.62 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -43.24 -23.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' SER . 25.5 t0 -90.93 -32.15 16.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.71 HG21 HD22 ' A' ' 23' ' ' LEU . 59.6 m -38.35 117.08 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 31' ' ' THR . 71.0 p -100.45 157.92 16.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.583 ' N ' HD12 ' A' ' 44' ' ' ILE . 38.9 mt-10 -54.06 -27.65 33.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.37 -52.96 62.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 28' ' ' THR . 1.7 t -71.96 -15.71 62.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.573 HD11 HG11 ' A' ' 20' ' ' VAL . 50.6 tp -83.25 -35.74 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 12.1 tttt -73.41 -54.89 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' SER . 23.2 mm-40 -53.67 -45.47 70.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' GLU . 20.2 m -35.04 -36.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.951 ' CE1' HG21 ' A' ' 59' ' ' VAL . 18.8 m-85 -101.12 115.47 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -75.43 86.12 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.61 -39.99 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.443 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 59.7 p -43.45 159.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.52 -28.69 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -155.92 170.51 21.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -147.92 153.04 38.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -139.47 150.47 45.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.583 HD12 ' N ' ' A' ' 29' ' ' GLU . 88.8 mt -132.53 140.2 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.972 HG21 ' CE2' ' A' ' 56' ' ' PHE . 33.9 m -83.97 154.79 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.7 p -139.71 156.21 46.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -77.74 159.24 29.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -93.58 -23.16 18.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.27 -57.99 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.3 p -77.83 -33.12 52.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.29 43.79 54.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -137.25 163.3 31.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.0 110.845 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.9 m -65.31 109.21 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -52.11 -51.7 56.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.63 35.11 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.972 ' CE2' HG21 ' A' ' 45' ' ' VAL . 29.5 p90 -172.31 154.64 3.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.64 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.56 -135.98 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.538 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 28.3 m-85 -158.28 142.39 15.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.951 HG21 ' CE1' ' A' ' 36' ' ' PHE . 58.1 t -108.74 113.11 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.38 133.17 35.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.533 ' CE1' HD12 ' A' ' 18' ' ' LEU . 73.4 m-85 -121.06 165.05 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.468 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -70.0 -31.87 69.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.5 m -156.91 159.96 38.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -57.58 -44.23 85.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.29 -57.83 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.57 -46.26 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -56.28 -42.15 77.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -63.05 -53.53 52.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.34 -26.44 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.11 -24.78 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.467 ' NZ ' ' CZ2' ' A' ' 88' ' ' TRP . 4.8 ttpm? -68.65 -46.52 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -56.91 -35.8 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.04 -46.11 62.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.618 ' CB ' HD11 ' A' ' 86' ' ' LEU . 60.7 mmm -95.05 19.24 10.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.7 pt-20 -54.26 -51.32 64.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 3.1 p30 -112.91 19.07 17.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.92 161.85 54.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -133.95 118.48 17.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.346 . . . . 0.0 110.944 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.674 HD12 HD21 ' A' ' 23' ' ' LEU . 19.1 mt -88.62 138.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.4 t0 51.98 43.76 30.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.34 23.61 66.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -130.89 134.01 46.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -68.11 128.14 35.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.413 ' CG1' HD23 ' A' ' 23' ' ' LEU . 27.7 m -116.6 149.49 18.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.4 m -118.44 116.57 26.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.651 HD13 ' HE2' ' A' ' 36' ' ' PHE . 1.5 mt -89.18 125.25 34.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -140.66 134.99 31.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.533 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 66.0 m95 -59.12 129.6 42.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.74 130.48 35.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 142.82 98.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 161.41 46.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -90.47 -53.7 4.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 133.74 147.7 5.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -106.26 41.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -164.47 -153.9 7.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.454 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.26 57.09 1.93 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 m -58.29 175.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.925 0.393 . . . . 0.0 110.823 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.34 77.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 161.16 47.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.4 p -54.74 124.9 17.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.7 p -77.05 126.96 31.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p -133.31 159.98 38.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p -136.12 157.74 46.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.42 -151.35 19.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -92.87 116.07 28.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 110.908 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -74.77 157.27 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.21 -160.04 25.24 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 104.15 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -55.58 166.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.45 -42.88 34.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -63.98 -39.37 93.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.1 m -109.61 91.37 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 7.1 tt0 -72.15 140.34 82.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.553 0.692 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 13' ' ' GLN . 53.2 Cg_endo -69.77 176.59 6.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.311 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.425 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 2.4 m -139.59 158.65 43.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -80.7 -38.06 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' HB3' ' A' ' 58' ' ' PHE . 4.3 m -99.22 125.32 44.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.75 HD12 ' CE2' ' A' ' 61' ' ' PHE . 11.2 mt -91.88 145.4 24.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -97.87 116.68 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 t -107.67 117.68 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.48 ' CG ' ' HB ' ' A' ' 85' ' ' THR . 2.5 ptmm? -122.44 147.64 46.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.47 46.75 2.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.746 HD13 HG21 ' A' ' 27' ' ' THR . 95.7 mt -108.27 158.2 17.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 27' ' ' THR . 18.8 t -78.77 137.49 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.407 ' CD ' ' H ' ' A' ' 25' ' ' GLU . 2.0 mp0 -41.23 -27.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 15.3 m-20 -83.4 -36.3 24.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.746 HG21 HD13 ' A' ' 23' ' ' LEU . 3.4 m -34.42 121.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.081 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.44 ' C ' ' CD1' ' A' ' 44' ' ' ILE . 71.0 p -107.55 163.95 12.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.433 ' N ' HD12 ' A' ' 44' ' ' ILE . 21.8 mt-10 -59.17 -24.49 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -66.31 -51.75 54.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 t -73.65 -18.36 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.618 HD13 HD11 ' A' ' 23' ' ' LEU . 43.5 tp -84.98 -32.06 23.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 11.0 tttt -73.14 -52.9 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 36' ' ' PHE . 63.9 mt-10 -57.75 -40.83 80.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 m -38.28 -29.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.966 ' CE1' HG21 ' A' ' 59' ' ' VAL . 21.6 m-85 -107.23 111.46 23.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.51 79.48 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.88 -33.63 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.5 p -47.56 164.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -114.44 -30.18 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -152.46 165.98 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.488 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -146.97 151.9 37.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -142.96 147.05 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.44 ' CD1' ' C ' ' A' ' 28' ' ' THR . 68.3 mt -127.95 134.64 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.968 HG21 ' CE2' ' A' ' 56' ' ' PHE . 18.0 m -79.13 152.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.1 p -136.28 156.7 48.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -77.58 150.49 34.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -7.53 54.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -102.74 -50.98 3.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.8 p -89.81 -20.62 23.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.36 35.12 91.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -127.68 163.6 23.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.9 m -66.01 110.47 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 88.1 mttt -51.35 -54.21 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.31 33.56 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.968 ' CE2' HG21 ' A' ' 45' ' ' VAL . 21.8 p90 -171.11 158.3 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.642 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.59 -142.83 3.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.8 m-85 -156.01 139.96 16.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.966 HG21 ' CE1' ' A' ' 36' ' ' PHE . 41.2 t -110.11 120.98 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.82 148.45 31.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.75 ' CE2' HD12 ' A' ' 18' ' ' LEU . 71.0 m-85 -138.41 147.66 43.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -54.24 -27.97 38.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.7 m -167.74 159.53 11.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HG2' ' C ' ' A' ' 15' ' ' SER . 10.1 mt-10 -50.34 -47.1 56.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -50.04 -58.75 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -54.82 -38.72 67.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.443 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -60.08 -42.56 94.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -65.51 -55.38 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.43 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.054 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.21 -22.93 23.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.3 ttpp -75.81 -47.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -55.26 -30.83 60.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.45 -50.98 12.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.674 ' CB ' HD11 ' A' ' 86' ' ' LEU . 72.5 mmm -83.55 8.04 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -46.49 -39.17 10.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -124.82 26.42 7.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.9 159.51 36.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.478 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -133.82 117.23 16.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.445 HD12 HD21 ' A' ' 23' ' ' LEU . 13.0 mt -86.77 137.35 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 54.69 40.43 31.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.26 22.5 69.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.528 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -130.1 136.62 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -67.61 135.08 52.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 23.4 m -122.49 146.14 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.48 ' HB ' ' CG ' ' A' ' 21' ' ' LYS . 98.9 m -112.72 114.37 26.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.674 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.5 mt -91.37 129.08 37.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.29 141.97 29.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.543 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 71.3 m95 -61.49 127.55 32.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.4 98.33 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.07 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -102.97 143.76 27.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.578 0.704 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 140.92 43.65 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -103.51 138.48 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.64 -168.37 31.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -46.2 -58.72 3.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 179.69 -53.92 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.6 83.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 m -124.5 -179.6 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.961 0.41 . . . . 0.0 110.82 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 141.4 -81.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 0.26 5.88 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 101' ' ' SER . 10.9 m -53.09 136.37 35.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 100' ' ' SER . 87.3 p -35.84 -46.51 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -82.63 137.65 34.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -53.88 166.45 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.11 50.49 0.8 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -64.12 124.56 21.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 p -154.64 175.68 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.75 139.46 10.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.459 ' CD ' ' HE2' ' A' ' 68' ' ' LYS . 53.7 Cg_endo -69.74 87.98 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.41 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -38.35 147.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.88 -52.96 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -61.1 -34.48 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.8 m -101.48 85.09 2.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -60.12 148.24 78.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 169.13 19.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.9 t -121.55 162.36 20.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -79.2 -39.41 33.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.476 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 18.6 m -98.03 129.56 44.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.636 HD12 ' CE2' ' A' ' 61' ' ' PHE . 18.5 mt -96.84 140.06 31.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -93.47 116.65 29.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.0 t -105.93 116.08 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -122.09 148.15 45.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.06 29.98 6.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.667 HD22 HG21 ' A' ' 27' ' ' THR . 52.5 mt -93.17 170.99 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.5 t -94.73 140.66 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -42.35 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' SER . 1.2 m-20 -88.21 -34.53 17.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.667 HG21 HD22 ' A' ' 23' ' ' LEU . 55.4 m -39.31 112.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.8 p -96.72 157.34 15.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -53.62 -26.08 20.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -63.57 -55.53 23.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.1 t -70.02 -16.28 63.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.9 tp -82.63 -36.61 25.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 17.3 tttt -70.74 -56.53 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -51.05 -43.02 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -38.15 -36.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.624 ' CE1' HG21 ' A' ' 59' ' ' VAL . 16.2 m-85 -102.69 104.5 14.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.4 98.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.89 -41.8 1.28 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -44.38 160.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.8 m -103.21 -34.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -156.83 170.66 21.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -144.91 158.43 43.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -143.06 152.28 41.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.7 mt -133.84 143.57 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.635 HG21 ' CE2' ' A' ' 56' ' ' PHE . 1.8 m -89.23 158.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 53' ' ' SER . 80.1 p -141.73 157.97 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.9 151.29 37.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -90.64 -15.75 29.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -94.06 -56.58 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.0 p -82.44 -34.94 27.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.5 38.92 27.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.9 t -132.49 143.93 50.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.487 ' HA ' HG22 ' A' ' 46' ' ' THR . 6.7 m -48.06 110.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.548 ' HD2' ' CZ ' ' A' ' 56' ' ' PHE . 59.6 mttt -51.48 -46.69 63.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.46 29.12 0.39 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.635 ' CE2' HG21 ' A' ' 45' ' ' VAL . 1.8 p90 -164.93 149.32 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -151.25 -134.33 2.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.487 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 43.3 m-85 -158.63 158.54 34.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.924 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.624 HG21 ' CE1' ' A' ' 36' ' ' PHE . 40.3 t -124.17 112.08 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.22 126.71 31.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.636 ' CE2' HD12 ' A' ' 18' ' ' LEU . 49.2 m-85 -116.78 159.84 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -66.5 -32.07 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.6 m -162.8 150.79 13.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.781 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.426 ' HG2' ' C ' ' A' ' 15' ' ' SER . 18.0 mt-10 -42.36 -53.15 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.23 -62.64 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.4 -39.3 56.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.57 -51.52 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' HE2' ' CD ' ' A' ' 8' ' ' PRO . 22.0 ttmt -56.86 -54.82 42.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.11 -30.73 6.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.7 -26.9 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.7 ttpp -67.76 -47.88 67.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -59.27 -28.88 67.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.21 -53.94 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.444 ' CB ' HD11 ' A' ' 86' ' ' LEU . 61.2 mmm -86.27 10.68 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 25.9 pt-20 -45.79 -48.73 15.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 1.4 p30 -114.98 24.33 11.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.78 160.98 43.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -134.69 117.44 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.497 HD12 HD21 ' A' ' 23' ' ' LEU . 11.1 mt -86.86 138.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 t70 50.27 44.73 26.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.96 28.13 68.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -134.15 131.41 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.942 0.401 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -65.47 129.38 39.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.3 m -119.46 147.39 23.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 97.4 m -115.39 121.59 43.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.444 HD11 ' CB ' ' A' ' 74' ' ' MET . 1.5 mt -95.31 129.88 42.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -144.1 143.15 31.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.543 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 60.8 m95 -62.58 104.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -37.64 118.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.438 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 13.5 ttpp -98.46 138.53 20.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 90' ' ' LYS . 53.6 Cg_endo -69.79 176.95 6.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.24 . . . . 0.0 112.345 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 -0.87 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -111.0 130.66 9.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -72.14 -54.3 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.5 140.34 12.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -147.26 83.12 0.19 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.2 m -139.86 178.99 6.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.8 93.0 0.18 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.53 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -178.06 2.15 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.749 2.299 . . . . 0.0 112.303 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -132.94 170.37 15.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m 57.1 37.94 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -146.05 157.35 43.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -147.08 150.75 35.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.16 104.94 1.9 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -95.41 118.25 31.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 m 64.1 45.19 4.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.97 150.55 39.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 9' ' ' ASN . 53.8 Cg_endo -69.79 -28.97 24.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 8' ' ' PRO . 59.7 t-20 -34.83 -46.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' SER . . . -55.71 146.88 19.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -39.35 -27.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' ALA . 5.5 m -61.44 122.98 16.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -63.94 152.28 87.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -175.26 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.544 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.1 t -113.57 151.6 31.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' CG ' ' HG3' ' A' ' 64' ' ' GLU . 9.4 mtmp? -79.9 -31.5 40.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.486 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 28.3 m -97.98 131.06 44.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.518 HD12 ' CE2' ' A' ' 61' ' ' PHE . 22.1 mt -98.93 128.97 45.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 45.5 t80 -84.28 120.69 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.422 HG21 HD11 ' A' ' 32' ' ' LEU . 86.3 t -108.54 114.42 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 9.2 pttp -120.53 138.78 53.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.34 36.85 2.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.607 HD21 HD12 ' A' ' 79' ' ' ILE . 61.3 mt -96.59 174.24 6.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' THR . 6.0 t -97.87 140.87 31.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -42.05 -23.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.0 p-10 -90.32 -34.1 15.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.584 HG21 HD22 ' A' ' 23' ' ' LEU . 19.9 m -34.24 120.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.457 ' O ' HG22 ' A' ' 31' ' ' THR . 53.8 p -105.19 159.65 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' N ' HD12 ' A' ' 44' ' ' ILE . 45.6 mt-10 -57.98 -27.89 63.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -50.55 67.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 28' ' ' THR . 1.8 t -72.92 -17.37 61.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 79' ' ' ILE . 50.4 tp -83.21 -39.82 20.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 11.9 tttm -67.4 -56.27 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' PHE . 35.6 mm-40 -50.2 -45.66 53.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' GLU . 28.3 m -36.41 -31.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.916 ' CE1' HG21 ' A' ' 59' ' ' VAL . 11.7 m-85 -105.0 110.11 22.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.42 88.75 1.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.43 -40.9 0.96 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.546 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.6 p -43.73 165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m -111.35 -36.77 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -152.02 162.79 40.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.414 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -139.63 157.37 45.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -140.94 152.24 44.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 29' ' ' GLU . 86.4 mt -135.08 140.22 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.034 HG21 ' CE2' ' A' ' 56' ' ' PHE . 35.3 m -85.35 152.82 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.656 HG22 ' HA ' ' A' ' 53' ' ' SER . 72.7 p -138.89 155.98 47.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.429 ' CG ' ' HG2' ' A' ' 49' ' ' GLU . 28.5 t0 -71.91 158.33 36.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -94.68 -21.68 18.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HG2' ' CG ' ' A' ' 47' ' ' ASP . 8.5 pt-20 -86.19 -45.46 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 p -93.55 -31.68 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.71 37.17 52.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -130.78 165.77 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.884 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.656 ' HA ' HG22 ' A' ' 46' ' ' THR . 5.4 t -60.22 115.79 3.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 46' ' ' THR . 17.4 mtmm -60.49 -50.39 73.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.81 33.04 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 1.034 ' CE2' HG21 ' A' ' 45' ' ' VAL . 27.6 p90 -175.03 155.8 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.628 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.15 -137.67 2.32 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 20.1 m-85 -155.5 159.27 39.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.392 . . . . 0.0 110.845 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.916 HG21 ' CE1' ' A' ' 36' ' ' PHE . 71.5 t -124.4 115.15 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -77.98 142.16 38.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 59' ' ' VAL . 54.5 m-85 -134.87 152.04 51.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.584 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -57.02 -35.15 68.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.4 m -158.77 160.04 35.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' HG3' ' CG ' ' A' ' 16' ' ' LYS . 41.5 mt-10 -51.0 -46.6 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -51.2 -62.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.66 -36.57 36.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.2 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -55.26 -55.06 35.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.53 -29.66 37.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.29 -21.01 33.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.8 ttpp -73.1 -46.07 53.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.97 -31.67 70.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.26 -51.54 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.578 ' CB ' HD11 ' A' ' 86' ' ' LEU . 54.8 mmm -88.92 7.79 32.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 18.3 pt-20 -41.32 -52.41 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 36.3 m-20 -112.64 24.14 12.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.71 159.98 46.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -134.2 116.74 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.607 HD12 HD21 ' A' ' 23' ' ' LEU . 14.6 mt -84.01 135.48 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 t70 53.21 41.84 32.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.24 22.68 71.12 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -128.55 131.33 48.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -66.7 127.82 33.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.1 m -117.82 146.42 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.0 m -112.17 119.88 39.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.3 mt -94.1 128.81 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -143.47 144.53 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.545 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 64.2 m95 -63.19 130.19 43.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.63 84.42 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.478 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 11.8 tttp -168.29 140.63 2.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 90' ' ' LYS . 53.7 Cg_endo -69.74 169.13 19.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.345 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 169.84 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.93 135.8 4.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -138.77 177.4 7.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 76.05 176.49 41.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.53 65.66 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.3 m -90.13 145.12 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.409 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 155.56 75.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 99.56 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 0.0 112.339 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.4 m -115.24 96.06 5.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 t -168.92 161.46 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -122.81 176.38 6.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -111.95 100.73 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.45 172.64 24.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -148.48 116.88 6.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -141.28 131.25 24.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.1 -157.93 21.82 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.438 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 168.34 21.79 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -103.24 46.16 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.49 142.11 20.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 11' ' ' ARG . 8.4 mmp_? -54.75 -53.31 56.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.816 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.3 m -82.88 150.43 26.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -40.18 153.93 0.2 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -174.33 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.549 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.3 t -141.74 163.54 32.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -84.06 -32.58 24.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 58' ' ' PHE . 4.4 m -98.32 125.58 43.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.65 HD12 ' CE2' ' A' ' 61' ' ' PHE . 13.4 mt -94.45 127.4 40.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 23.3 t80 -84.16 121.98 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG11 HD11 ' A' ' 32' ' ' LEU . 35.6 t -111.78 115.96 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -120.17 141.78 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.19 41.07 2.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.772 HD13 HG21 ' A' ' 27' ' ' THR . 91.4 mt -101.08 165.55 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' THR . 7.4 t -86.2 140.78 29.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -45.41 -21.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 0.4 OUTLIER -92.81 -29.78 15.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.772 HG21 HD13 ' A' ' 23' ' ' LEU . 3.2 m -39.11 120.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' THR . 42.6 p -104.72 156.99 17.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.512 ' N ' HD12 ' A' ' 44' ' ' ILE . 17.7 mt-10 -55.49 -24.32 30.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -66.37 -51.73 54.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 28' ' ' THR . 2.4 t -73.09 -26.3 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.582 HD13 HD11 ' A' ' 23' ' ' LEU . 68.3 tp -72.67 -36.85 68.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 14.4 tttt -69.81 -65.11 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' SER . 29.2 mt-10 -41.09 -47.45 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' GLU . 34.6 m -34.69 -39.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.62 ' CE1' HG21 ' A' ' 59' ' ' VAL . 33.9 m-85 -99.99 105.85 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.7 98.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.09 -44.79 0.94 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.407 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 59.5 p -44.78 166.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.855 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.6 m -110.57 -30.67 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -156.57 171.49 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -149.57 153.51 37.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -136.05 147.95 48.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.512 HD12 ' N ' ' A' ' 29' ' ' GLU . 37.3 mt -128.7 138.92 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.566 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 1.7 m -84.77 154.59 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.414 HG22 ' HA ' ' A' ' 53' ' ' SER . 75.5 p -140.36 154.83 46.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -72.02 156.98 38.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -94.46 -20.65 19.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -57.92 2.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.3 p -81.26 -32.95 33.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.27 41.95 36.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -132.36 146.05 51.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.414 ' HA ' HG22 ' A' ' 46' ' ' THR . 2.7 t -47.38 106.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -46.94 -48.72 21.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.79 31.25 0.21 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 26.8 p90 -173.4 155.95 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.92 0.39 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.655 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.27 -131.98 1.52 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 41.5 m-85 -160.55 153.36 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.62 HG21 ' CE1' ' A' ' 36' ' ' PHE . 41.7 t -121.13 116.67 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.11 137.58 34.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.65 ' CE2' HD12 ' A' ' 18' ' ' LEU . 74.1 m-85 -129.3 157.51 41.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.513 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -59.3 -31.04 68.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.7 m -167.88 157.63 10.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' HG2' ' C ' ' A' ' 15' ' ' SER . 11.9 mt-10 -46.66 -40.81 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -54.36 -63.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.44 ' CG ' ' OD1' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -51.18 -40.06 57.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.36 -50.52 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -54.74 -55.39 30.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -28.43 20.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.45 -20.71 31.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 75' ' ' GLU . 18.8 ttpp -75.51 -46.04 34.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.57 -31.43 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.04 -52.37 19.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.514 ' CB ' HD11 ' A' ' 86' ' ' LEU . 59.9 mmm -90.92 5.91 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LYS . 21.5 pt-20 -40.61 -49.87 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 9.7 m-20 -116.29 24.59 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.3 163.95 47.24 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.425 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -131.8 122.6 26.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.405 HG13 HG11 ' A' ' 84' ' ' VAL . 6.8 mt -92.28 135.96 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 51.93 43.15 30.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.67 25.24 70.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -133.12 132.66 41.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -66.56 131.67 46.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.416 HG12 HD23 ' A' ' 23' ' ' LEU . 19.9 m -121.29 143.59 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.6 m -109.46 119.64 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.609 HD13 ' HE2' ' A' ' 36' ' ' PHE . 1.5 mt -93.13 129.53 39.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.984 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -146.52 143.06 28.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.549 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 69.8 m95 -63.94 110.45 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.22 121.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -72.06 144.57 87.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.573 0.701 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 168.34 21.77 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 0.0 112.337 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -74.76 169.87 17.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.83 172.8 50.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.551 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -147.66 172.76 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 161.25 68.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 45.77 -119.51 3.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.0 p -100.49 123.47 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -46.64 144.3 4.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.04 36.84 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.9 t -68.58 -64.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t -98.18 91.6 5.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -74.29 -47.73 32.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -129.43 146.0 51.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.61 113.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.512 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -110.21 148.56 31.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -118.25 176.86 5.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.58 -179.44 2.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 173.36 11.06 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.262 . . . . 0.0 112.351 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -53.59 162.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' SER . . . -61.05 131.38 50.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' ALA . 10.4 ptm180 35.44 34.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 10' ' ' ALA . 11.9 t -144.99 134.79 23.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -60.61 158.96 27.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -168.02 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.268 . . . . 0.0 112.348 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.468 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 35.2 t -127.92 150.85 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -79.25 -29.58 42.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.487 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 12.2 m -98.71 126.91 44.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.625 HD12 ' CE1' ' A' ' 61' ' ' PHE . 12.9 mt -94.93 127.84 41.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 17.9 t80 -84.25 121.45 27.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 32' ' ' LEU . 57.8 t -113.92 114.87 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.42 152.21 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.66 38.53 4.67 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.73 HD13 HG21 ' A' ' 27' ' ' THR . 92.4 mt -101.93 154.49 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' THR . 21.4 t -81.22 140.45 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -42.07 -23.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -84.37 -38.19 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.73 HG21 HD13 ' A' ' 23' ' ' LEU . 4.9 m -36.52 121.69 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 31' ' ' THR . 34.2 p -106.1 155.56 19.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' N ' HD12 ' A' ' 44' ' ' ILE . 25.3 mt-10 -54.29 -24.79 20.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.6 -49.51 62.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 28' ' ' THR . 1.6 t -73.89 -18.11 60.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 HD11 ' A' ' 23' ' ' LEU . 55.7 tp -81.76 -38.61 25.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 14.9 tttt -67.36 -56.5 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 36' ' ' PHE . 43.5 mt-10 -51.32 -42.46 61.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -39.4 -26.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.85 ' CE1' HG21 ' A' ' 59' ' ' VAL . 13.2 m-85 -112.61 105.68 13.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -68.15 94.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.44 -44.98 0.95 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.5 p -39.42 158.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 m -103.28 -36.17 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -153.59 167.46 29.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -144.85 156.79 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 -139.77 151.15 45.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 29' ' ' GLU . 22.2 mt -135.37 132.44 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.862 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 5.0 m -73.15 156.56 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.2 p -141.99 150.0 40.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' OD2' HG23 ' A' ' 50' ' ' THR . 31.9 t0 -76.67 144.38 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.818 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.2 ptt-85 -90.12 -12.52 38.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -88.56 -36.05 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.415 HG23 ' OD2' ' A' ' 47' ' ' ASP . 4.9 p -110.46 -36.87 5.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.2 25.21 29.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 m -117.77 165.21 13.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.2 t -65.5 115.86 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -54.95 -49.22 71.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.82 32.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.862 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 41.5 p90 -173.08 152.85 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.588 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.12 -145.38 4.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.6 m-85 -152.0 143.3 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.85 HG21 ' CE1' ' A' ' 36' ' ' PHE . 59.5 t -110.83 114.9 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.71 140.82 40.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.625 ' CE1' HD12 ' A' ' 18' ' ' LEU . 62.3 m-85 -132.95 152.69 51.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -57.2 -31.3 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 m -168.29 153.3 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HG2' ' C ' ' A' ' 15' ' ' SER . 29.3 mt-10 -41.9 -44.88 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -51.57 -64.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.91 -36.35 27.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.99 67.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -53.93 -55.98 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.42 -27.7 16.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.076 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.27 -25.48 27.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HE2' ' NE1' ' A' ' 88' ' ' TRP . 21.5 ttpp -70.37 -48.28 57.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 75' ' ' GLU . 17.1 mt-10 -57.45 -35.91 70.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.32 -56.92 11.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.428 ' CB ' HD11 ' A' ' 86' ' ' LEU . 61.0 mmm -84.09 7.4 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 72' ' ' GLU . 15.4 pt-20 -39.59 -53.69 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -111.83 25.67 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.25 161.01 42.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -136.05 117.59 14.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.5 mt -87.89 137.59 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 t70 55.37 38.22 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.83 21.15 71.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -128.33 131.25 48.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -65.19 128.4 35.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.426 HG12 HD23 ' A' ' 23' ' ' LEU . 29.6 m -114.06 148.48 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.7 m -112.94 116.36 29.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.428 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.1 mt -91.63 129.65 37.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -148.18 145.83 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.468 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 77.8 m95 -67.2 119.87 12.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.42 130.24 44.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -130.51 131.9 23.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 141.96 46.51 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.661 2.24 . . . . 0.0 112.359 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -82.71 114.69 21.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 170.51 116.94 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -144.2 172.51 12.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.39 -142.09 6.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.514 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.58 -109.73 0.24 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.8 t 71.77 42.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.381 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -140.96 82.21 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 155.51 65.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.31 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 84.7 p -91.95 103.42 15.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.3 m -140.68 120.77 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t -74.5 -43.57 55.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 m -152.72 140.28 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.37 -111.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 t -51.75 145.36 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -102.65 147.28 27.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.84 145.57 4.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -28.81 24.5 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.661 2.24 . . . . 0.0 112.318 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 10' ' ' ALA . 4.2 m-80 -66.96 -61.58 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.832 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' ASN . . . -34.47 -70.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -134.99 161.12 36.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 13' ' ' GLN . 8.9 t 60.25 55.03 3.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 36.1 tt0 -34.21 141.13 0.25 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.633 0.73 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 13' ' ' GLN . 53.7 Cg_endo -69.84 -170.8 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.434 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 2.8 p -139.09 155.77 47.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -71.66 -27.35 63.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 58' ' ' PHE . 7.2 m -102.46 123.72 46.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 mt -93.41 126.41 38.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 87' ' ' ASP . 18.7 t80 -84.16 113.83 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.576 HG11 HD11 ' A' ' 32' ' ' LEU . 40.0 t -105.33 106.59 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.168 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -116.82 145.12 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.52 30.27 5.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.615 HD13 HG21 ' A' ' 27' ' ' THR . 68.2 mt -90.98 166.66 12.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 27' ' ' THR . 13.8 t -91.6 140.66 29.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -41.71 -24.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' SER . 42.0 m-20 -86.44 -36.58 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.615 HG21 HD13 ' A' ' 23' ' ' LEU . 4.3 m -34.54 126.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' THR . 36.7 p -112.27 158.35 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.439 ' N ' HD12 ' A' ' 44' ' ' ILE . 7.4 mt-10 -57.68 -25.73 60.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.86 -50.21 65.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 28' ' ' THR . 1.7 t -74.28 -20.2 60.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.576 HD11 HG11 ' A' ' 20' ' ' VAL . 58.2 tp -78.07 -37.6 46.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 13.4 tttm -68.81 -53.29 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' PHE . 67.9 mm-40 -57.21 -41.17 78.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.4 m -38.5 -28.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.945 ' CE1' HG21 ' A' ' 59' ' ' VAL . 13.1 m-85 -110.83 109.09 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -72.24 90.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.03 -35.49 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.419 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 56.1 p -47.41 172.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.418 ' C ' ' HE2' ' A' ' 33' ' ' LYS . 29.5 m -119.06 -34.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -151.88 164.35 37.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -136.28 155.77 49.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -140.53 141.5 35.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.439 HD12 ' N ' ' A' ' 29' ' ' GLU . 13.2 mt -128.68 137.66 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.903 HG21 ' CE2' ' A' ' 56' ' ' PHE . 13.1 m -84.52 153.78 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -141.74 154.6 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -74.61 158.44 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -92.71 -14.69 27.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -97.03 -56.3 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.2 p -81.5 -31.15 33.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.78 28.27 69.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -116.27 167.14 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 t -67.22 114.3 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.512 ' HD3' ' CZ ' ' A' ' 56' ' ' PHE . 27.0 mtpt -56.66 -42.65 79.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.35 27.13 0.77 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.903 ' CE2' HG21 ' A' ' 45' ' ' VAL . 1.3 p90 -163.93 158.33 19.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -163.05 -145.21 4.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.1 m-85 -154.41 148.1 25.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.945 HG21 ' CE1' ' A' ' 36' ' ' PHE . 89.2 t -117.16 114.23 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.74 147.27 37.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.738 ' CE1' HG12 ' A' ' 59' ' ' VAL . 71.9 m-85 -138.59 158.53 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.438 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -63.93 -30.48 71.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 m -165.88 150.04 8.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' C ' ' A' ' 15' ' ' SER . 22.4 mt-10 -44.61 -38.58 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.53 -59.71 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -37.13 68.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.17 89.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -67.02 -49.18 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.93 -24.75 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.44 -31.53 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.628 ' HA ' HD12 ' A' ' 86' ' ' LEU . 23.8 ttpp -66.92 -41.01 87.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.51 -31.13 71.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.99 -49.3 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.538 ' CB ' HD11 ' A' ' 86' ' ' LEU . 56.0 mmm -87.8 14.04 9.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 14.5 pt-20 -55.27 -43.88 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 2.0 m-20 -115.79 18.32 15.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.1 162.1 51.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HB2' ' C ' ' A' ' 82' ' ' ASN . 6.7 pt-20 -135.88 116.95 14.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.551 HD12 HD21 ' A' ' 23' ' ' LEU . 25.1 mt -84.02 138.98 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.0 t70 50.83 41.96 27.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.92 26.7 71.44 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.46 ' ND2' ' HB2' ' A' ' 24' ' ' SER . 45.7 m-20 -133.21 131.64 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -65.79 130.81 44.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.4 m -119.41 149.36 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.7 m -117.81 115.8 25.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 71' ' ' LYS . 2.4 mt -89.88 121.17 31.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 19' ' ' PHE . 22.2 t0 -135.9 136.43 40.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.485 ' NE1' ' HE2' ' A' ' 71' ' ' LYS . 58.9 m95 -60.62 105.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.05 123.74 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -63.35 148.78 92.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.713 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.461 ' O ' ' C ' ' A' ' 92' ' ' LYS . 53.9 Cg_endo -69.75 166.47 27.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 91' ' ' PRO . 16.1 pttt 32.78 43.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.63 -58.74 1.04 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -97.43 -62.69 1.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.46 137.93 4.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.9 74.42 0.24 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 m -42.36 164.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 129.22 -156.98 21.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 172.68 12.2 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.382 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.7 m -126.71 -44.44 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 m -70.46 -52.53 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 m -115.93 -55.06 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m -89.1 156.73 18.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.89 80.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -138.85 116.07 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.894 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -112.63 154.58 25.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.27 -157.4 30.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 80.54 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.393 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -56.16 168.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.02 -53.32 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -83.52 -57.46 3.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -58.41 117.26 4.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -94.45 154.23 40.26 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.584 0.707 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -174.64 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.581 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 4.9 t -131.22 151.71 51.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -70.84 -35.13 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.483 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 28.0 m -99.99 125.02 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.623 HD12 ' CE2' ' A' ' 61' ' ' PHE . 13.2 mt -92.97 139.88 30.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 47.0 t80 -94.01 116.7 29.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t -107.61 110.6 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 3.5 pttp -118.0 148.4 42.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 37.21 4.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.486 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.532 HD13 HG21 ' A' ' 27' ' ' THR . 87.9 mt -100.4 163.6 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 27' ' ' THR . 3.6 t -85.04 138.51 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -41.36 -24.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.1 p30 -85.06 -37.42 20.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.532 HG21 HD13 ' A' ' 23' ' ' LEU . 30.8 m -35.65 118.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 31' ' ' THR . 82.3 p -104.22 160.05 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.541 ' N ' HD12 ' A' ' 44' ' ' ILE . 27.9 mt-10 -54.37 -28.46 43.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -60.83 -57.86 10.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 28' ' ' THR . 2.0 t -66.91 -19.33 65.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD13 HD11 ' A' ' 23' ' ' LEU . 51.8 tp -79.89 -36.77 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -71.52 -52.14 19.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.7 -41.32 77.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.5 m -38.58 -37.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.872 ' CE1' HG21 ' A' ' 59' ' ' VAL . 7.8 m-85 -103.99 107.57 18.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.23 93.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.9 -40.35 1.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.6 p -42.02 156.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.2 m -100.17 -35.66 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.5 mmt-85 -153.08 170.72 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.0 144.97 31.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -130.16 148.13 51.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.541 HD12 ' N ' ' A' ' 29' ' ' GLU . 71.5 mt -133.33 135.65 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.923 HG21 ' CE2' ' A' ' 56' ' ' PHE . 14.5 m -79.37 153.07 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 53' ' ' SER . 82.7 p -140.86 160.8 39.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.97 156.35 36.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.2 ttt85 -94.6 -15.27 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' HG3' HG23 ' A' ' 50' ' ' THR . 9.8 pt-20 -94.5 -48.27 6.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.418 HG23 ' HG3' ' A' ' 49' ' ' GLU . 65.1 p -92.4 -32.77 14.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.07 35.12 39.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.7 t -122.68 163.18 20.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.486 ' HA ' HG22 ' A' ' 46' ' ' THR . 8.6 t -66.58 117.28 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.792 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 43.7 mttm -61.23 -51.58 68.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.77 35.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.923 ' CE2' HG21 ' A' ' 45' ' ' VAL . 23.2 p90 -173.52 150.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.593 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.99 -143.54 3.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 15.7 m-85 -152.86 146.8 25.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.872 HG21 ' CE1' ' A' ' 36' ' ' PHE . 62.1 t -112.62 114.65 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 61' ' ' PHE . 11.0 t0 -77.57 136.91 38.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.623 ' CE2' HD12 ' A' ' 18' ' ' LEU . 68.7 m-85 -127.72 157.74 39.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.563 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.4 OUTLIER -62.66 -36.48 83.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.4 m -160.99 147.43 14.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' HG2' ' C ' ' A' ' 15' ' ' SER . 34.6 mt-10 -37.71 -51.6 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -44.29 -64.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -43.8 53.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.34 -53.2 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -55.62 -50.27 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.32 -33.15 41.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.2 -35.72 35.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.546 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.9 ttpp -57.25 -47.78 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -61.54 -29.13 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.35 -40.73 73.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.574 ' HB2' HD11 ' A' ' 86' ' ' LEU . 66.5 mmm -102.22 9.83 39.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 9.5 pt-20 -42.02 -39.68 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 4.1 t70 -123.22 17.96 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.68 160.25 52.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -133.96 116.64 15.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.508 HD12 HD21 ' A' ' 23' ' ' LEU . 24.4 mt -87.07 138.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 t70 53.84 39.15 30.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.88 21.9 69.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -129.32 135.61 48.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.939 0.4 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -66.68 127.79 33.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.3 m -115.27 142.33 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.1 m -109.5 112.1 24.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 74' ' ' MET . 2.9 mt -87.48 125.81 34.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -140.26 147.72 40.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.581 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 33.6 m95 -68.65 126.3 29.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.95 167.18 22.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' CD ' ' HD2' ' A' ' 91' ' ' PRO . 9.5 tppt? -141.26 136.1 15.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HD2' ' CD ' ' A' ' 90' ' ' LYS . 54.3 Cg_endo -69.68 149.26 67.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.395 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -125.61 119.72 28.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 177.11 111.66 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 44.86 29.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.63 82.81 1.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.456 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -102.36 -170.29 26.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.5 m -112.37 80.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.46 -172.62 49.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 169.15 19.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 m -79.42 123.81 27.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 t -140.56 129.51 23.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.53 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -39.53 130.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.3 p -73.69 150.37 41.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.88 155.9 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -171.69 164.39 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -143.95 130.11 19.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.21 -175.11 16.0 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -172.32 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.744 2.296 . . . . 0.0 112.281 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.469 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 5.3 p-10 -139.17 175.66 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 9' ' ' ASN . . . 69.74 28.41 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' ALA . 84.6 mtt180 38.06 29.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' ALA . 58.5 m -142.3 134.04 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 12' ' ' SER . 15.1 mm100 -36.42 149.84 0.14 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.606 0.717 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -169.14 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.236 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.444 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 4.9 t -126.03 146.46 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -72.82 -34.37 66.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.535 HG22 ' HB3' ' A' ' 58' ' ' PHE . 5.3 m -98.02 135.05 40.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.817 HD11 ' O ' ' A' ' 67' ' ' ALA . 14.1 mt -104.31 129.91 52.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 66.4 t80 -85.72 126.51 34.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG11 HD11 ' A' ' 32' ' ' LEU . 30.8 t -115.67 115.65 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 27.1 pttt -119.35 144.9 46.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.3 41.72 2.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.476 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 27' ' ' THR . 81.2 mt -105.95 164.32 12.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.9 t -84.47 140.65 31.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -44.55 -22.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 24' ' ' SER . 1.1 p30 -88.96 -32.54 17.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.68 HG21 HD13 ' A' ' 23' ' ' LEU . 9.6 m -36.82 123.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.422 ' O ' HG22 ' A' ' 31' ' ' THR . 19.1 p -107.73 157.06 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.53 ' N ' HD12 ' A' ' 44' ' ' ILE . 15.6 mt-10 -57.24 -24.33 53.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -65.39 -51.31 61.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 28' ' ' THR . 1.4 t -71.16 -32.02 68.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.573 HD13 HD11 ' A' ' 23' ' ' LEU . 48.1 tp -67.43 -38.28 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -67.27 -54.31 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -51.36 -44.35 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 m -38.46 -31.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.739 ' CE1' HG21 ' A' ' 59' ' ' VAL . 23.4 m-85 -108.29 107.47 18.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.32 95.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.68 -40.68 1.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.531 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.424 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 97.2 p -43.25 151.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.977 0.418 . . . . 0.0 110.787 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 41' ' ' ARG . 34.0 m -92.37 -42.76 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.456 ' N ' HG23 ' A' ' 40' ' ' VAL . 38.6 mmt180 -152.63 167.44 28.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.44 158.28 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -140.18 156.54 46.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.53 HD12 ' N ' ' A' ' 29' ' ' GLU . 86.0 mt -135.97 142.67 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.97 HG21 ' CE2' ' A' ' 56' ' ' PHE . 15.6 m -84.25 152.87 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.4 p -138.04 153.69 49.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.88 158.36 30.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -17.78 22.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -92.97 -58.28 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.3 p -80.96 -26.56 36.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.97 37.03 91.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -128.19 161.86 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 t -61.84 111.77 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HD2' ' CZ ' ' A' ' 56' ' ' PHE . 79.3 mttt -52.92 -49.2 66.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.09 35.9 0.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.97 ' CE2' HG21 ' A' ' 45' ' ' VAL . 41.4 p90 -175.09 151.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.546 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.79 -144.86 4.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.5 m-85 -148.6 156.6 42.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 36' ' ' PHE . 21.4 t -123.75 120.92 61.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -85.6 143.41 28.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.708 ' CE2' HD12 ' A' ' 18' ' ' LEU . 67.1 m-85 -131.94 156.16 46.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.437 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.3 OUTLIER -66.78 -22.38 66.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 m -167.86 142.39 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HG2' ' C ' ' A' ' 15' ' ' SER . 39.7 mt-10 -42.85 -27.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.23 -47.61 76.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -34.9 77.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.817 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -66.27 -39.66 89.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -68.5 -56.72 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.97 -34.36 28.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.59 -21.87 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 25.1 ttpp -73.92 -50.46 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -55.36 -25.26 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.08 -56.01 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.565 ' CB ' HD11 ' A' ' 86' ' ' LEU . 51.9 mmm -84.21 4.36 31.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' LYS . 16.8 pt-20 -37.82 -50.78 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 75' ' ' GLU . 3.8 p30 -113.32 10.83 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.818 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.22 159.97 40.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -131.38 115.92 16.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.342 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.651 HD12 HD21 ' A' ' 23' ' ' LEU . 22.2 mt -82.6 139.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 79' ' ' ILE . 7.1 p-10 46.61 48.86 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 57.43 33.17 65.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -140.46 135.87 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.66 141.56 58.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.3 m -134.63 145.69 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.145 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.5 m -110.31 121.42 45.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.565 HD11 ' CB ' ' A' ' 74' ' ' MET . 4.3 mt -96.99 126.72 42.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -137.26 165.43 26.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.545 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 51.4 m95 -88.13 125.8 34.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.86 155.84 38.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -159.69 150.43 15.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 110.15 2.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.71 100.69 6.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 97.94 61.55 0.9 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -87.01 49.36 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -144.86 90.27 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.39 63.73 0.39 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.444 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.4 t -174.2 161.39 3.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.967 0.413 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.21 -95.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.519 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 112.19 3.01 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.716 2.277 . . . . 0.0 112.355 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.3 t -152.09 155.5 38.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -85.69 -43.29 13.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 m -134.29 172.05 13.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -146.12 159.99 42.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.14 147.98 7.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t -120.18 -47.86 2.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.837 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -74.11 106.25 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.43 -163.6 24.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 155.3 66.18 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.329 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.93 -26.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.37 -177.2 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -87.54 -57.11 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' GLN . 3.8 t -80.99 164.66 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 12' ' ' SER . 20.3 pt20 -36.0 146.71 0.19 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -164.86 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.8 m -126.65 149.73 49.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -71.03 -35.26 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.445 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 6.8 m -98.05 126.0 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.809 HD12 ' CE2' ' A' ' 61' ' ' PHE . 14.0 mt -94.79 136.93 34.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 14.3 t80 -89.22 116.82 27.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.498 HG21 HD11 ' A' ' 32' ' ' LEU . 58.7 t -106.08 107.15 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -117.02 138.26 51.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.69 38.46 1.74 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.732 HD22 HG21 ' A' ' 27' ' ' THR . 63.5 mt -98.79 177.4 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 27' ' ' THR . 12.1 t -100.03 140.74 33.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -42.62 -23.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' SER . 29.3 m-20 -91.24 -32.82 15.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.732 HG21 HD22 ' A' ' 23' ' ' LEU . 73.6 m -38.61 122.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.536 ' O ' HG22 ' A' ' 31' ' ' THR . 46.9 p -104.51 160.61 14.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.575 ' N ' HD12 ' A' ' 44' ' ' ILE . 12.4 mt-10 -59.02 -26.42 64.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.14 -49.79 75.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 28' ' ' THR . 4.2 t -73.34 -19.24 61.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 20' ' ' VAL . 50.3 tp -76.74 -38.5 54.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -67.15 -58.41 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' PHE . 56.5 mt-10 -53.76 -43.37 69.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' GLU . 15.1 m -34.82 -32.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.876 ' CE1' HG21 ' A' ' 59' ' ' VAL . 20.3 m-85 -108.36 111.16 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.8 85.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.33 -39.38 0.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -45.97 171.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.6 m -121.4 -33.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -155.29 172.52 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.46 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -149.25 152.56 36.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.0 mtm105 -134.96 128.69 32.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.575 HD12 ' N ' ' A' ' 29' ' ' GLU . 72.7 mt -110.72 144.28 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.636 HG21 ' CE1' ' A' ' 56' ' ' PHE . 3.1 m -86.11 157.98 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.5 p -141.59 150.48 42.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.01 159.15 34.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -94.23 -23.65 17.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -89.84 -56.21 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 p -80.19 -31.61 38.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.37 41.82 76.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.5 t -132.06 164.85 25.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -62.34 108.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -50.53 -49.25 56.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.77 30.72 0.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.636 ' CE1' HG21 ' A' ' 45' ' ' VAL . 42.8 p90 -175.0 158.89 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.588 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.7 -132.26 1.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 53.6 m-85 -159.81 144.34 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.365 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.876 HG21 ' CE1' ' A' ' 36' ' ' PHE . 86.3 t -108.72 116.16 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -82.96 128.31 34.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.809 ' CE2' HD12 ' A' ' 18' ' ' LEU . 43.0 m-85 -119.03 157.36 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -63.37 -33.07 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.4 m -162.29 149.74 13.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -40.86 -43.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -54.24 -63.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -35.34 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.47 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -65.4 -46.54 79.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -57.05 12.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.74 -27.56 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.31 -26.0 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.541 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 23.9 ttpp -68.41 -49.92 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.14 -28.11 56.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.91 -55.31 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.536 ' CB ' HD11 ' A' ' 86' ' ' LEU . 46.2 mmm -84.3 5.21 27.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 22.6 pt-20 -40.69 -52.23 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 33.7 t70 -112.18 24.92 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.5 162.73 43.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -133.88 118.66 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.639 HD12 HD21 ' A' ' 23' ' ' LEU . 12.6 mt -86.99 135.76 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 52.35 45.16 28.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.44 22.47 63.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -129.3 133.81 47.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.14 127.78 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.442 ' CG1' HD23 ' A' ' 23' ' ' LEU . 25.0 m -118.02 145.38 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.1 m -111.93 123.04 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.603 HD13 ' HE2' ' A' ' 36' ' ' PHE . 2.3 mt -98.01 125.78 43.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -142.76 139.05 30.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.541 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 67.5 m95 -58.93 122.13 12.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.03 108.12 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -105.84 125.27 33.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.543 0.687 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 95.64 0.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 92' ' ' LYS . 1.5 tmmm? -84.59 114.26 21.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.17 -81.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.509 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -104.31 130.24 52.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.85 103.42 2.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.26 -45.75 84.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.6 t -115.93 159.12 22.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.893 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.98 -96.52 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 111.24 2.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.639 2.226 . . . . 0.0 112.385 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 t -133.27 -50.66 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.1 m -77.25 118.23 19.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.4 t -87.32 133.93 33.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 2' ' ' SER . 21.1 t -34.93 96.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 139.33 149.59 5.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -116.4 142.53 46.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.893 0.378 . . . . 0.0 110.832 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -83.28 158.32 22.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.813 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.96 87.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.62 3.36 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -56.08 -45.56 79.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.29 172.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -38.7 -38.77 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t -55.58 143.42 29.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -103.57 149.21 36.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 176.32 6.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 3.5 t -112.63 160.15 18.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -82.7 -33.9 27.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.479 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 16.9 m -98.31 124.65 43.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.644 HD12 ' CE1' ' A' ' 61' ' ' PHE . 12.6 mt -95.62 128.6 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -84.18 123.13 29.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.483 HG11 HD11 ' A' ' 32' ' ' LEU . 44.8 t -113.41 115.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' CG ' ' HB ' ' A' ' 85' ' ' THR . 24.6 pttt -121.09 148.65 43.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.8 44.07 3.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.427 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.544 HD21 HD12 ' A' ' 79' ' ' ILE . 88.9 mt -105.88 162.49 13.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.3 t -82.52 140.11 33.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -44.65 -22.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 24' ' ' SER . 10.2 t0 -90.0 -31.83 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.504 HG21 HD13 ' A' ' 23' ' ' LEU . 21.1 m -38.37 115.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 31' ' ' THR . 41.7 p -101.8 159.34 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -56.74 -23.42 42.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -64.92 -52.94 53.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 28' ' ' THR . 3.2 t -71.34 -29.04 64.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.493 HD12 ' CD1' ' A' ' 79' ' ' ILE . 48.6 tp -68.85 -38.18 79.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -67.19 -55.4 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' SER . 74.5 mm-40 -53.29 -44.32 68.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' GLU . 3.3 m -36.12 -37.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.9 ' CE1' HG21 ' A' ' 59' ' ' VAL . 22.5 m-85 -103.48 108.76 20.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -71.42 93.99 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.63 -38.89 1.4 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.6 p -44.54 164.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.8 m -114.35 -34.61 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -148.31 162.61 39.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.45 147.34 33.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -131.38 145.99 52.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -131.37 134.78 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.864 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 4.8 m -75.53 157.74 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.9 p -140.19 146.15 38.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 49' ' ' GLU . 30.8 t70 -75.09 159.1 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -95.89 -25.46 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' N ' ' OD2' ' A' ' 47' ' ' ASP . 9.4 tt0 -74.87 -58.94 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.6 p -86.17 -37.17 19.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.55 33.87 15.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -126.29 172.41 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.0 m -64.01 111.25 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HB2' HG23 ' A' ' 45' ' ' VAL . 19.5 mmmt -50.31 -50.65 50.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.64 31.69 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.864 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 26.0 p90 -170.99 154.27 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.599 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.52 -153.45 6.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 3.9 m-85 -148.22 138.35 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.9 HG21 ' CE1' ' A' ' 36' ' ' PHE . 92.0 t -107.85 117.3 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.43 140.85 33.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.644 ' CE1' HD12 ' A' ' 18' ' ' LEU . 79.3 m-85 -129.04 147.27 50.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -51.49 -37.62 49.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 64' ' ' GLU . 36.6 m -155.47 146.42 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' HG2' ' C ' ' A' ' 15' ' ' SER . 50.3 mt-10 -36.79 -49.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -45.48 -61.19 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.82 -42.4 58.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.63 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -59.24 -51.44 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -58.01 -57.29 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -47.69 -30.04 3.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.7 -30.48 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.532 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.2 ttpp -63.71 -47.35 81.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -61.5 -30.62 70.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.59 -49.82 61.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 44.4 mmm -94.11 10.95 31.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -39.34 -47.56 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -118.51 20.98 12.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -76.94 159.55 49.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -132.73 116.06 16.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.544 HD12 HD21 ' A' ' 23' ' ' LEU . 22.9 mt -84.91 137.7 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.7 t70 51.56 44.68 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.44 26.88 64.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -133.71 132.65 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -65.15 130.92 45.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.492 HG12 HD23 ' A' ' 23' ' ' LEU . 20.2 m -118.03 143.92 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.188 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.445 ' HB ' ' CG ' ' A' ' 21' ' ' LYS . 87.8 m -110.27 114.85 28.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mt -90.79 126.09 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -143.52 147.89 35.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.532 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 70.5 m95 -69.44 104.62 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -34.37 -55.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -170.79 133.35 0.95 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.74 116.62 4.64 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -66.95 88.46 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -119.33 173.24 14.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -102.75 112.01 24.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.393 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.42 126.97 1.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.42 -140.21 22.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 40.3 m -135.38 156.09 49.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.83 -179.99 12.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.81 3.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.634 2.223 . . . . 0.0 112.371 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.8 m 60.81 50.03 5.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 t -129.55 178.1 6.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -147.23 134.42 20.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -96.3 94.52 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.34 77.32 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 p -42.09 157.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -96.26 152.96 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.96 -162.48 2.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 150.4 68.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -72.85 77.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.1 167.14 31.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -85.97 -41.3 15.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 m -125.0 -52.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -145.74 151.74 46.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -164.22 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.576 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.7 t -123.79 157.95 32.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -83.14 -33.11 26.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 58' ' ' PHE . 5.0 m -98.51 122.78 42.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.9 mt -95.24 130.95 41.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -84.23 124.7 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG11 HD11 ' A' ' 32' ' ' LEU . 41.2 t -112.03 122.43 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -126.52 149.88 49.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.56 34.49 5.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.642 HD13 HG21 ' A' ' 27' ' ' THR . 83.3 mt -98.62 157.81 16.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.356 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' THR . 10.9 t -82.56 139.51 33.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -41.41 -24.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' SER . 21.4 t0 -83.97 -37.91 21.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.642 HG21 HD13 ' A' ' 23' ' ' LEU . 18.8 m -34.89 129.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.0 p -115.97 163.28 16.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -60.93 -20.44 62.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.6 -54.89 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 t -73.15 -19.4 61.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.473 HD11 HG11 ' A' ' 20' ' ' VAL . 63.7 tp -78.52 -37.65 42.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HE3' ' C ' ' A' ' 40' ' ' VAL . 22.4 tttt -68.32 -57.22 6.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -47.99 -42.85 28.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.7 m -40.75 -28.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.829 ' CE1' HG21 ' A' ' 59' ' ' VAL . 13.5 m-85 -113.17 109.73 19.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.02 108.98 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.01 -42.43 1.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.7 p -39.63 151.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.69 HG23 ' HG2' ' A' ' 41' ' ' ARG . 3.9 m -96.73 -34.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.69 ' HG2' HG23 ' A' ' 40' ' ' VAL . 15.4 ptt180 -156.77 165.64 35.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.84 153.91 49.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -139.04 151.24 46.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.425 HG21 ' OG ' ' A' ' 53' ' ' SER . 18.8 mt -136.29 132.94 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.858 HG21 ' CE2' ' A' ' 56' ' ' PHE . 12.6 m -79.48 153.61 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 53' ' ' SER . 39.4 p -140.19 155.34 46.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -74.09 161.42 30.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -93.93 -21.77 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -88.42 -56.35 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.3 p -82.29 -24.09 34.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.64 34.64 90.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -125.63 166.62 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.581 ' HA ' HG22 ' A' ' 46' ' ' THR . 4.0 m -61.08 119.97 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 56' ' ' PHE . 29.2 mtpt -61.88 -35.7 79.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.12 20.15 1.86 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.858 ' CE2' HG21 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -158.94 153.09 23.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.631 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -153.69 -149.96 5.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 4.5 m-85 -149.42 137.01 20.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.829 HG21 ' CE1' ' A' ' 36' ' ' PHE . 58.1 t -108.42 112.47 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.431 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 3.0 m-20 -77.21 155.87 31.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.599 ' CE1' HG12 ' A' ' 59' ' ' VAL . 74.4 m-85 -145.08 144.16 30.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -47.03 -32.92 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.0 m -161.36 159.28 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' C ' ' A' ' 15' ' ' SER . 39.2 mt-10 -50.29 -37.24 35.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -58.02 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.65 -43.64 26.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -57.94 -53.01 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -52.28 -55.58 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.26 -31.48 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.09 -25.5 36.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.491 ' HE2' ' NE1' ' A' ' 88' ' ' TRP . 24.5 ttpp -70.65 -49.86 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.75 -24.87 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.66 -44.62 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.572 ' CB ' HD11 ' A' ' 86' ' ' LEU . 55.6 mmm -98.91 13.8 31.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 71' ' ' LYS . 10.5 pt-20 -52.31 -40.05 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -122.32 25.96 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.7 163.1 40.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -136.13 118.74 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.435 HD12 HD21 ' A' ' 23' ' ' LEU . 9.1 mt -87.79 137.95 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 51.13 46.09 26.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.25 21.64 62.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -126.48 133.18 51.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.369 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 127.8 33.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.44 ' CG1' HD23 ' A' ' 23' ' ' LEU . 29.7 m -114.69 149.87 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.2 m -118.12 114.65 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.572 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.1 mt -89.06 126.71 35.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -142.46 135.34 28.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.576 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 66.5 m95 -55.61 130.38 42.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.64 105.98 10.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 90' ' ' LYS . 3.7 mppt? -69.46 143.23 92.91 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 96.07 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.381 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.458 ' H ' ' CD ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -70.01 174.81 4.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.08 127.62 3.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.17 120.48 9.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.373 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.91 153.45 25.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.46 -110.72 0.25 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.2 m -108.61 99.76 9.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.847 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -166.63 -177.98 38.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 172.5 12.56 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -171.57 169.49 6.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.4 t -135.1 159.13 42.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -137.64 123.54 20.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -140.77 112.41 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 161.61 -132.23 2.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.516 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.7 m -36.9 111.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 p -88.86 105.8 17.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.88 83.65 0.33 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.477 ' HG3' ' CE ' ' A' ' 68' ' ' LYS . 53.2 Cg_endo -69.77 -19.74 35.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -155.26 122.98 5.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.24 -39.09 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -106.67 -40.35 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 t -137.03 167.16 22.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -57.91 158.13 13.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.73 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.429 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 1.8 m -121.4 158.56 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -86.25 -33.0 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 58' ' ' PHE . 8.4 m -98.72 132.0 44.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.628 HD12 ' CE1' ' A' ' 61' ' ' PHE . 13.4 mt -102.47 130.3 49.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 21' ' ' LYS . 31.4 t80 -84.2 119.64 25.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 32' ' ' LEU . 65.9 t -109.25 122.18 63.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 10.2 pttt -127.13 147.97 50.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.19 37.36 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.579 HD22 HG21 ' A' ' 27' ' ' THR . 72.0 mt -98.53 167.33 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 27' ' ' THR . 10.0 t -91.03 140.65 29.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -42.41 -23.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' SER . 36.8 t0 -88.85 -34.49 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.579 HG21 HD22 ' A' ' 23' ' ' LEU . 22.5 m -36.17 115.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.428 ' O ' HG22 ' A' ' 31' ' ' THR . 62.3 p -101.44 158.32 16.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -54.24 -25.29 22.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -65.06 -57.76 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 28' ' ' THR . 3.7 t -65.29 -29.2 69.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.506 HD11 HG11 ' A' ' 20' ' ' VAL . 50.2 tp -70.32 -39.49 74.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -69.53 -52.03 30.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -55.44 -42.21 73.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -38.6 -36.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.944 ' CE1' HG21 ' A' ' 59' ' ' VAL . 25.1 m-85 -98.97 110.27 22.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.27 47.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.1 27.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 97.8 p -109.8 172.83 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.398 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.422 HG11 ' OD1' ' A' ' 62' ' ' ASN . 27.5 m -118.79 -35.67 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.0 mtt85 -150.73 163.25 39.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.74 155.66 45.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -144.91 150.96 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.6 mt -135.37 138.36 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.949 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 12.0 m -78.5 156.12 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.3 p -141.65 154.75 45.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -79.05 155.98 28.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -92.17 -16.69 25.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -92.35 -55.1 3.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -84.39 -34.09 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.85 40.67 35.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 m -132.13 166.29 22.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 t -63.84 109.43 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HB2' HG23 ' A' ' 45' ' ' VAL . 42.3 mttm -51.24 -47.81 62.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.78 31.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.448 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.949 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 48.1 p90 -171.55 152.05 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.884 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.411 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.98 -145.14 4.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.519 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.495 ' HB3' HG22 ' A' ' 17' ' ' THR . 46.9 m-85 -152.56 145.45 24.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.944 HG21 ' CE1' ' A' ' 36' ' ' PHE . 83.8 t -111.82 113.75 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.53 149.08 36.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.641 ' CE1' HG12 ' A' ' 59' ' ' VAL . 88.9 m-85 -139.49 153.33 47.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.422 ' OD1' HG11 ' A' ' 40' ' ' VAL . 3.9 m120 -62.08 -30.53 71.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.6 m -161.47 147.17 13.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.429 ' HG2' ' C ' ' A' ' 15' ' ' SER . 25.1 mt-10 -39.34 -45.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -48.93 -60.48 2.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -50.41 -44.4 55.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -57.34 -54.57 45.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.477 ' CE ' ' HG3' ' A' ' 8' ' ' PRO . 32.7 tttm -53.74 -57.79 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.71 -28.41 9.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.91 -21.64 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.54 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.4 ttpp -74.14 -47.24 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -57.01 -37.95 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.9 -50.68 63.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.559 ' CB ' HD11 ' A' ' 86' ' ' LEU . 63.8 mmm -87.13 4.73 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.7 pt-20 -39.77 -51.04 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 13.9 t0 -115.65 27.39 9.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.69 159.56 38.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -135.17 118.24 16.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.566 HD12 HD21 ' A' ' 23' ' ' LEU . 10.9 mt -88.28 137.77 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 t70 52.89 39.31 28.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.79 25.0 73.01 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -130.9 130.51 43.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -66.83 127.27 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.3 m -114.92 146.95 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 85.9 m -113.43 120.48 41.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.559 HD11 ' CB ' ' A' ' 74' ' ' MET . 1.2 mt -97.29 123.61 41.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.38 144.61 38.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.54 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 78.2 m95 -64.02 121.32 13.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.64 115.31 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -106.48 137.05 19.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.63 0.729 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.6 60.6 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -88.33 85.01 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.33 55.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -90.01 89.89 7.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 170.98 -57.73 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 97' ' ' SER . . . 161.76 -62.95 0.28 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.461 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 96' ' ' GLY . 20.5 m 35.16 53.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.925 0.393 . . . . 0.0 110.854 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.56 159.72 29.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.434 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.232 . . . . 0.0 112.402 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.5 m -68.93 101.75 1.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.0 t -48.55 156.96 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -81.19 169.16 17.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.382 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.0 p -139.16 158.44 44.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.08 166.81 18.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -109.39 144.57 37.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.873 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -77.43 120.65 22.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.33 -179.13 39.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -23.19 31.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.387 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -83.28 -56.31 3.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.08 -46.42 22.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -106.71 170.13 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.7 p -38.05 147.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -41.36 155.05 0.22 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.709 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -170.01 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.9 m -136.53 136.71 39.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -60.98 -38.02 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.482 HG22 ' HB3' ' A' ' 58' ' ' PHE . 7.9 m -97.98 128.03 44.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.54 HD12 ' CE1' ' A' ' 61' ' ' PHE . 11.0 mt -95.09 140.77 29.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -94.14 119.9 33.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.416 HG11 HD11 ' A' ' 32' ' ' LEU . 41.3 t -110.74 120.57 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -126.69 147.88 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.85 29.41 6.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.648 HD21 HD12 ' A' ' 79' ' ' ILE . 84.9 mt -91.22 165.43 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.321 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 27' ' ' THR . 17.0 t -88.43 140.69 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -42.6 -23.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' THR . 81.2 m-20 -89.05 -33.86 16.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.555 HG21 HD22 ' A' ' 23' ' ' LEU . 22.5 m -34.31 121.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' HG22 ' A' ' 31' ' ' THR . 33.1 p -106.43 157.89 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.495 ' N ' HD12 ' A' ' 44' ' ' ILE . 9.1 mt-10 -56.89 -25.4 56.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -64.96 -49.07 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 28' ' ' THR . 3.7 t -77.23 -24.15 51.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.132 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.521 HD13 HD11 ' A' ' 23' ' ' LEU . 58.5 tp -76.69 -33.51 58.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 12.7 tttm -72.7 -60.04 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' PHE . 8.4 mm-40 -48.61 -45.69 38.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' GLU . 18.2 m -36.4 -32.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.608 ' CE1' HG21 ' A' ' 59' ' ' VAL . 18.8 m-85 -106.93 100.99 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.74 98.62 0.93 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.11 -35.43 1.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.1 p -51.06 168.74 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.5 m -117.28 -28.24 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -154.51 160.7 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -141.33 146.22 36.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.3 mmt-85 -131.91 151.59 51.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 29' ' ' GLU . 63.9 mt -134.07 132.37 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.9 HG21 ' CE2' ' A' ' 56' ' ' PHE . 5.3 m -82.38 157.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 53' ' ' SER . 49.2 p -141.54 170.47 15.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 49' ' ' GLU . 30.2 t0 -71.87 152.62 42.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -90.99 -3.53 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' H ' ' CG ' ' A' ' 47' ' ' ASP . 16.3 tp10 -104.37 -58.2 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.9 p -90.17 -34.91 15.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.9 22.79 40.93 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 p -98.99 152.09 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.486 ' HA ' HG22 ' A' ' 46' ' ' THR . 5.9 t -55.73 117.21 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 4.4 mtpm? -64.07 -43.83 94.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.25 32.02 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.9 ' CE2' HG21 ' A' ' 45' ' ' VAL . 29.9 p90 -172.88 154.51 2.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.65 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.11 -135.26 2.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 27.1 m-85 -156.81 149.2 23.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.741 HG12 ' CE1' ' A' ' 61' ' ' PHE . 95.4 t -116.02 113.74 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -80.47 135.1 36.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.741 ' CE1' HG12 ' A' ' 59' ' ' VAL . 70.3 m-85 -127.92 145.32 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -47.79 -36.31 11.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' GLU . 19.4 m -161.99 148.21 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' SER . 17.3 mt-10 -36.12 -53.28 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -44.04 -62.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.64 -41.35 42.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.06 -50.1 75.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -54.66 -56.71 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.09 -28.1 6.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.9 -25.67 26.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.536 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 22.7 ttpp -69.38 -49.79 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -57.51 -35.69 70.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.88 -53.78 35.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.409 ' CB ' HD11 ' A' ' 86' ' ' LEU . 73.6 mmm -87.38 6.34 34.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 71' ' ' LYS . 20.2 pt-20 -39.53 -50.12 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -117.22 28.54 8.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.07 162.82 40.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.76 120.4 17.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.648 HD12 HD21 ' A' ' 23' ' ' LEU . 20.5 mt -88.36 137.15 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t0 51.5 38.14 21.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.05 26.51 74.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.505 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -132.23 129.88 40.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -65.24 129.35 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.7 m -117.84 143.87 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.5 m -108.96 123.36 48.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.409 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.0 mt -99.17 127.6 45.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.1 145.23 32.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.536 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 64.2 m95 -65.64 103.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -36.91 137.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -101.45 142.14 24.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 110.918 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 129.27 17.37 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.747 2.298 . . . . 0.0 112.329 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -96.11 105.12 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.71 128.93 1.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -142.22 155.78 45.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.93 0.395 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.57 -85.64 0.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.18 109.01 1.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 83.6 p -169.73 127.64 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.389 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.56 157.83 29.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 116.52 4.6 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 m -125.33 155.39 40.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 m -52.85 168.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.427 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 1.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.932 0.396 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -82.54 -32.35 28.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 5.0 m -98.3 129.65 45.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' CD2' ' HD3' ' A' ' 71' ' ' LYS . 12.5 mt -97.28 129.84 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -84.88 118.95 24.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.407 HG11 HD11 ' A' ' 32' ' ' LEU . 59.6 t -108.49 112.72 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -120.6 139.77 52.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.54 36.12 2.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.912 HD21 HD12 ' A' ' 79' ' ' ILE . 82.7 mt -96.25 176.48 6.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 27' ' ' THR . 4.5 t -98.55 140.68 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -42.97 -23.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -90.99 -32.46 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.649 HG21 HD22 ' A' ' 23' ' ' LEU . 55.3 m -38.83 115.32 0.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.565 ' O ' HG22 ' A' ' 31' ' ' THR . 69.1 p -100.81 155.92 17.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.797 ' N ' HD12 ' A' ' 44' ' ' ILE . 23.0 mt-10 -50.68 -26.06 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -53.8 47.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.647 HG21 ' OD2' ' A' ' 80' ' ' ASP . 7.6 t -68.88 -24.48 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.542 HD13 HD11 ' A' ' 23' ' ' LEU . 48.3 tp -75.63 -38.2 59.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -66.07 -61.8 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' SER . 4.1 mm-40 -48.69 -44.4 37.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' GLU . 19.5 m -35.78 -37.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.704 ' CE1' HG21 ' A' ' 59' ' ' VAL . 29.9 m-85 -106.11 103.17 12.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.2 97.92 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.7 -35.71 1.76 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.449 ' HB3' ' CE2' ' A' ' 61' ' ' PHE . 78.6 p -49.44 165.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.2 m -109.25 -31.55 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -154.01 168.98 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.37 149.91 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -135.39 148.98 49.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.797 HD12 ' N ' ' A' ' 29' ' ' GLU . 53.4 mt -135.88 135.86 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.808 HG21 ' CE2' ' A' ' 56' ' ' PHE . 4.6 m -80.16 152.92 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.9 p -138.24 146.21 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -73.78 152.7 40.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -94.31 -19.49 20.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -85.79 -54.09 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.5 p -87.45 -36.77 17.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.199 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.32 30.16 38.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -124.1 153.51 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 t -49.82 112.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.594 ' HB2' HG23 ' A' ' 45' ' ' VAL . 22.4 mmmt -52.01 -46.51 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.85 23.78 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.808 ' CE2' HG21 ' A' ' 45' ' ' VAL . 3.5 p90 -164.65 151.44 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.652 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.81 -143.86 3.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.652 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 8.3 m-85 -152.7 156.03 38.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.856 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.704 HG21 ' CE1' ' A' ' 36' ' ' PHE . 75.3 t -125.38 110.47 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.52 137.03 39.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.661 ' CE1' HG12 ' A' ' 59' ' ' VAL . 86.2 m-85 -127.26 157.34 40.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -58.09 -36.19 72.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.6 m -158.93 156.92 30.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.427 ' HG2' ' C ' ' A' ' 15' ' ' SER . 16.5 mt-10 -47.39 -40.55 17.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -53.28 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.82 -42.11 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.74 -53.89 53.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -54.53 -57.88 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.4 -28.84 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.71 -27.94 26.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 19.4 ttpp -66.37 -46.9 75.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 12.3 mt-10 -59.97 -36.82 77.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.44 -52.52 57.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 50.5 mmm -87.75 6.87 32.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 13.7 pt-20 -39.72 -54.0 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -111.37 26.2 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.73 157.46 34.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.425 ' HB2' ' C ' ' A' ' 82' ' ' ASN . 9.6 pt-20 -130.72 116.25 17.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.912 HD12 HD21 ' A' ' 23' ' ' LEU . 33.6 mt -82.68 138.12 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.647 ' OD2' HG21 ' A' ' 31' ' ' THR . 2.1 m-20 50.17 45.33 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.21 27.69 67.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.524 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.425 ' C ' ' HB2' ' A' ' 78' ' ' GLU . 67.7 m-20 -134.15 132.23 39.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -65.86 131.25 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.415 ' CG1' HD23 ' A' ' 23' ' ' LEU . 31.0 m -121.13 146.65 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.8 m -112.13 119.29 37.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 71' ' ' LYS . 1.8 mt -94.12 125.97 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -142.84 144.97 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.543 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 74.5 m95 -64.71 117.18 7.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.8 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.964 0.412 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -58.23 -33.94 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.477 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 7.6 m -101.72 126.4 48.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.803 HD12 ' CE2' ' A' ' 61' ' ' PHE . 15.4 mt -97.01 131.5 43.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -84.26 119.41 25.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.449 HG11 HD11 ' A' ' 32' ' ' LEU . 66.2 t -109.96 112.43 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -119.7 147.36 44.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.71 42.42 2.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.606 HD21 HD12 ' A' ' 79' ' ' ILE . 58.6 mt -105.45 169.15 8.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' THR . 19.0 t -88.54 140.59 29.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -43.06 -23.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 27' ' ' THR . 38.2 m-20 -88.93 -33.45 17.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.538 HG21 HD22 ' A' ' 23' ' ' LEU . 95.4 m -34.86 114.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.434 ' O ' HG22 ' A' ' 31' ' ' THR . 67.5 p -102.61 153.03 20.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -49.26 -27.78 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.56 -51.65 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.675 HG21 ' OD2' ' A' ' 80' ' ' ASP . 2.4 t -74.47 -16.79 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 HG12 ' A' ' 44' ' ' ILE . 45.9 tp -81.05 -36.84 29.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -71.58 -52.59 17.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 36' ' ' PHE . 22.0 mt-10 -54.89 -43.42 73.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -38.51 -30.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.815 ' CE1' HG21 ' A' ' 59' ' ' VAL . 17.9 m-85 -109.6 106.15 15.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.37 83.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.2 -38.15 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.9 p -47.57 161.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -111.29 -35.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -145.7 159.2 43.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.17 150.82 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -135.84 152.44 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.469 HG12 HD22 ' A' ' 32' ' ' LEU . 30.2 mt -136.11 130.12 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.856 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 2.2 m -72.12 153.35 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 p -141.97 152.99 43.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.63 158.27 35.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -93.94 -15.0 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -100.31 -52.01 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.2 p -84.77 -28.37 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.69 42.72 95.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -132.26 156.98 45.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.364 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -58.56 103.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 5.4 mtpm? -47.06 -46.41 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.15 31.02 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.856 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 18.0 p90 -171.96 153.65 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.65 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.09 -140.12 2.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 10.9 m-85 -152.06 158.92 43.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.815 HG21 ' CE1' ' A' ' 36' ' ' PHE . 46.2 t -128.59 117.09 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 61' ' ' PHE . 23.0 t0 -78.6 143.25 36.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.803 ' CE2' HD12 ' A' ' 18' ' ' LEU . 65.9 m-85 -137.23 145.0 43.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -48.36 -37.76 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.0 m -161.43 153.21 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -43.68 -44.74 6.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -49.42 -62.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -53.24 -40.76 64.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.566 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -59.22 -44.53 92.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -60.66 -54.89 39.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -31.71 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.77 -29.9 32.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 19.8 ttpp -65.12 -46.69 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 75' ' ' GLU . 9.2 mt-10 -61.39 -39.33 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.55 -52.32 64.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.5 mmm -89.04 8.63 28.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 72' ' ' GLU . 16.9 pt-20 -40.68 -52.98 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 75' ' ' GLU . 2.9 p30 -111.33 25.68 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.28 161.84 43.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -134.31 116.36 15.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.606 HD12 HD21 ' A' ' 23' ' ' LEU . 19.0 mt -85.11 134.5 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.07 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.675 ' OD2' HG21 ' A' ' 31' ' ' THR . 1.7 m-20 55.67 38.6 30.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.6 20.32 71.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -126.99 133.98 50.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -66.33 128.06 34.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG1' HD23 ' A' ' 23' ' ' LEU . 29.2 m -116.19 147.91 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.4 m -113.85 116.25 29.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mt -91.58 125.39 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.3 141.71 32.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.519 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 52.8 m95 -61.59 106.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.44 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 2.2 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -56.07 -33.27 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.485 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 11.9 m -99.59 129.96 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.58 HD12 ' CE2' ' A' ' 61' ' ' PHE . 12.4 mt -101.04 134.42 44.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -86.35 119.81 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.625 HG21 HD11 ' A' ' 32' ' ' LEU . 62.9 t -108.56 118.91 57.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -125.11 152.06 44.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.54 31.05 7.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.445 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.813 HD22 HG21 ' A' ' 27' ' ' THR . 87.4 mt -90.32 177.14 6.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.323 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 27' ' ' THR . 33.2 t -102.48 140.78 36.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -42.36 -23.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 24' ' ' SER . 14.1 m-20 -94.23 -31.07 14.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.813 HG21 HD22 ' A' ' 23' ' ' LEU . 53.4 m -39.92 110.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.626 ' O ' HG22 ' A' ' 31' ' ' THR . 58.9 p -92.33 158.69 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.48 ' HG2' ' N ' ' A' ' 44' ' ' ILE . 22.0 mt-10 -55.44 -27.83 50.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -60.46 -49.34 77.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 28' ' ' THR . 5.2 t -72.63 -20.57 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.625 HD11 HG21 ' A' ' 20' ' ' VAL . 51.4 tp -76.54 -39.51 52.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 13.4 tttt -69.12 -56.97 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 36' ' ' PHE . 7.1 mm-40 -49.88 -46.7 51.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' GLU . 21.3 m -35.27 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.917 ' CE1' HG21 ' A' ' 59' ' ' VAL . 19.2 m-85 -106.78 112.68 25.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -74.27 93.63 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.24 -38.39 1.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -42.95 164.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.34 -37.11 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -155.02 171.08 20.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -146.82 157.67 43.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -141.59 148.99 40.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.48 ' N ' ' HG2' ' A' ' 29' ' ' GLU . 23.3 mt -130.62 134.67 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.555 HG21 ' CE2' ' A' ' 56' ' ' PHE . 1.4 m -79.69 156.35 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.7 p -140.31 154.59 46.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -75.17 164.41 26.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -94.72 -31.21 13.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.64 -58.43 2.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.9 p -77.14 -32.27 56.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.1 45.43 82.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 t -138.15 162.43 34.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -53.56 108.01 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 29.6 mtmt -53.73 -40.03 65.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.47 27.77 0.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.503 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.555 ' CE2' HG21 ' A' ' 45' ' ' VAL . 12.9 p90 -173.7 155.31 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.634 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.83 -132.47 1.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 38.4 m-85 -160.73 141.65 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.917 HG21 ' CE1' ' A' ' 36' ' ' PHE . 48.1 t -109.01 111.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.64 133.82 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.58 ' CE2' HD12 ' A' ' 18' ' ' LEU . 40.2 m-85 -121.64 160.39 24.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.46 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -68.07 -24.71 65.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 m -162.08 164.33 28.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -64.74 -42.03 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.0 -52.94 63.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.6 -37.61 81.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.537 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -61.96 -35.9 79.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -69.92 -55.01 10.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.23 -27.85 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.88 -21.57 31.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.518 ' HB3' ' HZ3' ' A' ' 71' ' ' LYS . 1.1 ttpm? -73.79 -43.92 57.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.83 -31.2 70.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.4 -44.69 57.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.609 ' CB ' HD11 ' A' ' 86' ' ' LEU . 43.9 mmm -96.19 17.1 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.1 pt-20 -51.67 -50.4 60.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.437 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 22.2 p-10 -112.84 16.89 19.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.3 162.87 53.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -135.41 117.54 15.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.622 HD12 HD21 ' A' ' 23' ' ' LEU . 11.5 mt -85.4 137.67 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 48.69 49.52 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.94 26.81 61.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -132.8 132.53 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -68.62 131.67 45.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.9 m -122.47 154.92 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 100.0 m -123.21 117.93 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.679 HD13 ' HE2' ' A' ' 36' ' ' PHE . 1.8 mt -89.68 126.88 35.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -141.91 135.15 29.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.451 ' O ' ' C ' ' A' ' 89' ' ' ALA . 67.5 m95 -57.56 102.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 4.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.937 0.398 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -73.01 -29.48 63.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.4 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 3.1 m -103.57 129.53 50.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.516 HD12 ' CE2' ' A' ' 61' ' ' PHE . 12.3 mt -95.73 136.91 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 75.5 t80 -90.1 118.13 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -107.81 115.07 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 23.8 pttt -123.43 143.08 50.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.94 38.2 2.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.671 HD11 HD13 ' A' ' 32' ' ' LEU . 80.1 mt -100.12 161.79 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' THR . 7.4 t -83.33 140.71 32.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -41.91 -24.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 27.8 m-20 -85.62 -36.29 20.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.567 HG21 HD22 ' A' ' 23' ' ' LEU . 93.5 m -35.6 120.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.9 p -108.57 158.69 17.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -56.03 -23.29 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -66.5 -53.04 39.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 t -70.4 -31.98 69.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.671 HD13 HD11 ' A' ' 23' ' ' LEU . 21.6 tp -67.53 -37.96 83.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 14.1 tttt -67.95 -53.76 23.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.92 -39.58 81.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -38.47 -34.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.832 ' CE1' HG21 ' A' ' 59' ' ' VAL . 28.3 m-85 -105.69 102.07 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.42 90.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.98 -36.84 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.429 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 60.3 p -46.29 162.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.38 -31.07 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -152.49 168.76 24.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -151.76 153.96 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -140.14 156.47 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.1 mt -136.22 129.81 47.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.033 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 8.9 m -73.65 151.98 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.7 p -140.17 156.06 46.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -77.77 153.88 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.811 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.21 -21.29 23.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -89.87 -58.16 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.2 p -77.55 -34.77 53.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.06 40.53 50.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 t -132.17 175.06 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -69.61 115.61 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.523 ' HB2' HG23 ' A' ' 45' ' ' VAL . 40.4 mttm -61.71 -48.13 82.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.77 33.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 1.033 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 39.3 p90 -174.42 151.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.886 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.95 -154.68 6.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.4 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 30.9 m-85 -138.91 142.53 38.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.832 HG21 ' CE1' ' A' ' 36' ' ' PHE . 51.8 t -112.69 111.71 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.69 140.27 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 59' ' ' VAL . 63.3 m-85 -133.37 144.99 49.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -45.46 -31.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.2 m -165.88 162.25 18.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -49.74 -41.71 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -54.29 -62.17 1.83 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -46.64 -43.72 17.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.46 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -58.58 -48.45 80.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -56.67 -51.74 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.09 -28.39 4.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.053 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.21 -29.21 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.637 ' HA ' HD12 ' A' ' 86' ' ' LEU . 22.3 ttpp -67.49 -45.57 75.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.85 -34.07 72.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.89 -58.15 3.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.542 ' CB ' HD11 ' A' ' 86' ' ' LEU . 63.8 mmm -77.09 6.31 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 15.5 pt-20 -43.53 -44.42 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 63.7 m-20 -119.44 20.84 12.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -75.0 162.76 53.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.64 117.8 13.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.863 0.363 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.526 HD12 HD21 ' A' ' 23' ' ' LEU . 16.5 mt -88.34 140.25 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.2 t0 52.66 41.04 31.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.49 23.11 68.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -130.93 134.96 47.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.388 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -65.93 136.06 55.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.7 m -123.63 146.73 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -115.2 117.56 30.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 71' ' ' LYS . 2.1 mt -93.27 121.19 34.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.38 137.48 40.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.485 ' NE1' ' HE2' ' A' ' 71' ' ' LYS . 66.6 m95 -57.75 118.0 4.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.872 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -83.81 -33.59 24.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 58' ' ' PHE . 14.5 m -98.43 124.3 43.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.663 HD11 ' O ' ' A' ' 67' ' ' ALA . 18.2 mt -92.48 144.04 25.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -97.31 114.24 25.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 32' ' ' LEU . 26.8 t -104.78 113.78 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -122.71 139.38 54.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.47 34.53 2.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.674 HD21 HD12 ' A' ' 79' ' ' ILE . 67.6 mt -97.12 170.24 9.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.347 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' THR . 21.4 t -89.61 140.71 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -44.14 -22.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 24' ' ' SER . 29.9 t70 -92.28 -30.8 15.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.672 HG21 HD22 ' A' ' 23' ' ' LEU . 97.2 m -38.88 116.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 31' ' ' THR . 55.6 p -98.37 162.95 12.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.597 ' N ' HD12 ' A' ' 44' ' ' ILE . 25.4 mt-10 -60.59 -22.68 63.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.96 -48.74 67.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.629 HG21 ' OD2' ' A' ' 80' ' ' ASP . 2.5 t -75.38 -20.71 58.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.598 HD13 HD11 ' A' ' 23' ' ' LEU . 53.8 tp -78.31 -36.27 46.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -71.43 -54.87 9.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' SER . 9.1 mm-40 -50.61 -44.3 57.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' GLU . 48.9 m -37.6 -36.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.86 ' CE1' HG21 ' A' ' 59' ' ' VAL . 17.7 m-85 -102.95 102.7 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -67.23 99.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.73 -36.23 2.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.556 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 48.4 p -44.04 167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.939 0.399 . . . . 0.0 110.848 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 41' ' ' ARG . 35.5 m -109.88 -39.59 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.402 ' N ' HG23 ' A' ' 40' ' ' VAL . 37.4 mmt180 -154.31 170.85 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.99 160.74 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -145.85 136.53 24.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.597 HD12 ' N ' ' A' ' 29' ' ' GLU . 70.4 mt -117.99 137.52 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.038 HG21 ' CE2' ' A' ' 56' ' ' PHE . 15.2 m -85.76 154.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.4 p -135.96 169.05 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.53 155.93 24.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -94.68 -14.04 25.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -99.11 -41.24 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.0 p -98.45 -20.79 16.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.09 29.33 74.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -120.2 162.29 19.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.9 m -64.6 117.38 7.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -61.84 -51.6 67.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.32 37.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 1.038 ' CE2' HG21 ' A' ' 45' ' ' VAL . 35.0 p90 -174.96 158.65 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.634 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -159.16 -133.24 1.48 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 37.7 m-85 -160.95 142.91 12.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.86 HG21 ' CE1' ' A' ' 36' ' ' PHE . 66.9 t -109.82 111.66 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.65 144.01 31.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 39' ' ' SER . 59.8 m-85 -131.78 172.27 12.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.453 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 1.7 p30 -84.63 -23.59 29.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' GLU . 67.5 m -164.67 135.12 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' SER . 30.8 mp0 -37.61 -42.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 7.7 pt-20 -46.53 -50.11 17.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.509 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 9.8 m-20 -68.8 -38.1 79.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.663 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -62.2 -34.66 76.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -75.67 -55.27 5.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.69 -35.42 55.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.34 -22.44 51.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 25.1 ttpp -73.28 -50.52 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 75' ' ' GLU . 17.9 mt-10 -54.92 -28.19 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.56 -45.43 25.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.652 ' CB ' HD11 ' A' ' 86' ' ' LEU . 48.9 mmm -93.31 12.43 24.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HG3' ' CG ' ' A' ' 76' ' ' ASP . 12.6 pt-20 -51.04 -43.58 60.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.404 ' CG ' ' HG3' ' A' ' 75' ' ' GLU . 36.8 m-20 -118.06 22.84 11.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.47 159.51 40.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -131.53 119.22 21.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.674 HD12 HD21 ' A' ' 23' ' ' LEU . 9.8 mt -87.61 133.88 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.629 ' OD2' HG21 ' A' ' 31' ' ' THR . 13.9 m-20 55.58 41.71 30.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.05 18.61 67.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.46 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -125.83 131.31 52.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -65.52 132.58 49.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.5 m -121.53 147.55 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.2 m -115.72 112.55 22.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.652 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.4 mt -88.06 126.25 35.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -139.45 141.34 37.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.535 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 61.2 m95 -60.52 111.05 1.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 179.881 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.416 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 3.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.928 0.394 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -69.76 -31.29 69.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.479 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 4.1 m -101.69 121.61 42.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.421 HD21 ' CZ3' ' A' ' 88' ' ' TRP . 21.2 mt -93.59 132.24 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -84.45 121.33 27.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.558 HG11 HD11 ' A' ' 32' ' ' LEU . 52.2 t -110.3 114.08 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -122.2 142.65 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.33 30.5 4.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 27' ' ' THR . 83.9 mt -90.81 174.77 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.7 t -97.79 140.67 31.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -43.21 -23.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.9 m-20 -93.04 -30.78 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.778 HG21 HD22 ' A' ' 23' ' ' LEU . 55.5 m -41.44 112.01 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.443 ' C ' HD12 ' A' ' 44' ' ' ILE . 52.3 p -94.16 164.77 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.487 ' N ' HD12 ' A' ' 44' ' ' ILE . 10.9 mt-10 -62.7 -21.51 65.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.68 -49.64 57.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 t -76.05 -16.75 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.558 HD11 HG11 ' A' ' 20' ' ' VAL . 61.9 tp -82.67 -35.61 26.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.951 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 13.0 tttm -70.22 -57.27 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -47.81 -43.78 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 m -40.4 -32.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.833 ' CE1' HG21 ' A' ' 59' ' ' VAL . 26.9 m-85 -106.55 103.3 12.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.03 109.28 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.81 -42.6 1.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.4 p -41.7 159.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.739 HG23 ' HG2' ' A' ' 41' ' ' ARG . 6.1 m -101.63 -34.06 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.739 ' HG2' HG23 ' A' ' 40' ' ' VAL . 11.5 ptt180 -156.86 167.07 31.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -142.98 153.04 42.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -137.46 152.08 49.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.487 HD12 ' N ' ' A' ' 29' ' ' GLU . 19.1 mt -134.93 134.77 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.595 HG21 ' CE2' ' A' ' 56' ' ' PHE . 1.8 m -76.44 156.1 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.0 p -140.03 152.07 45.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.77 152.76 39.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -92.72 -9.4 40.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -102.18 -53.13 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.9 p -88.14 -24.49 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.94 33.82 80.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -123.86 156.08 36.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 m -56.24 107.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 45' ' ' VAL . 49.7 mtpt -46.43 -45.09 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.19 28.49 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.595 ' CE2' HG21 ' A' ' 45' ' ' VAL . 27.9 p90 -171.03 154.88 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.549 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.54 -145.03 4.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.549 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 16.4 m-85 -150.12 139.63 21.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.833 HG21 ' CE1' ' A' ' 36' ' ' PHE . 78.1 t -112.3 117.15 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 56.3 m-20 -80.91 150.41 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.521 ' CE1' HG12 ' A' ' 59' ' ' VAL . 71.4 m-85 -138.72 145.84 40.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -51.59 -29.34 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.5 m -163.68 151.38 12.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -43.38 -46.04 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -51.55 -60.16 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.9 -44.74 19.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -59.38 -48.0 83.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -56.58 -49.47 74.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -26.15 27.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.49 -22.0 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.644 ' HA ' HD12 ' A' ' 86' ' ' LEU . 17.9 ttpp -77.27 -40.39 44.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.02 -29.35 70.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.26 -48.11 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.589 ' CB ' HD11 ' A' ' 86' ' ' LEU . 61.5 mmm -86.17 10.06 15.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -50.56 -42.17 55.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -119.65 15.12 12.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.11 161.06 54.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -133.92 118.42 17.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.604 HD12 HD21 ' A' ' 23' ' ' LEU . 9.0 mt -86.94 136.87 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 49.61 49.48 19.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.26 26.81 59.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.449 ' ND2' ' HB2' ' A' ' 24' ' ' SER . 54.1 m-20 -132.97 130.82 40.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -67.0 130.76 44.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.2 m -119.35 151.27 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.4 m -119.71 119.49 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 71' ' ' LYS . 1.5 mt -93.42 127.23 38.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.23 133.3 24.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.482 ' NE1' ' HE2' ' A' ' 71' ' ' LYS . 70.1 m95 -54.85 121.52 8.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.87 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.533 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 8.9 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.96 0.41 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -78.4 -34.27 48.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.428 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 18.4 m -98.34 125.95 43.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' A' ' 61' ' ' PHE . 11.2 mt -97.22 137.26 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 17.2 t80 -88.55 119.72 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 32' ' ' LEU . 46.3 t -110.75 108.9 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -119.74 138.83 53.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.43 37.26 1.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.71 HD22 HG21 ' A' ' 27' ' ' THR . 35.3 mt -99.93 175.79 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.8 t -94.88 140.62 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -43.24 -23.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' SER . 25.5 t0 -90.93 -32.15 16.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.71 HG21 HD22 ' A' ' 23' ' ' LEU . 59.6 m -38.35 117.08 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 31' ' ' THR . 71.0 p -100.45 157.92 16.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.583 ' N ' HD12 ' A' ' 44' ' ' ILE . 38.9 mt-10 -54.06 -27.65 33.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.37 -52.96 62.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 28' ' ' THR . 1.7 t -71.96 -15.71 62.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.573 HD11 HG11 ' A' ' 20' ' ' VAL . 50.6 tp -83.25 -35.74 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 12.1 tttt -73.41 -54.89 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' SER . 23.2 mm-40 -53.67 -45.47 70.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' GLU . 20.2 m -35.04 -36.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.951 ' CE1' HG21 ' A' ' 59' ' ' VAL . 18.8 m-85 -101.12 115.47 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -75.43 86.12 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.61 -39.99 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.443 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 59.7 p -43.45 159.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.52 -28.69 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -155.92 170.51 21.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -147.92 153.04 38.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -139.47 150.47 45.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.583 HD12 ' N ' ' A' ' 29' ' ' GLU . 88.8 mt -132.53 140.2 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.972 HG21 ' CE2' ' A' ' 56' ' ' PHE . 33.9 m -83.97 154.79 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.7 p -139.71 156.21 46.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -77.74 159.24 29.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -93.58 -23.16 18.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.27 -57.99 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.3 p -77.83 -33.12 52.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.29 43.79 54.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -137.25 163.3 31.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.0 110.845 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.9 m -65.31 109.21 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -52.11 -51.7 56.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.63 35.11 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.972 ' CE2' HG21 ' A' ' 45' ' ' VAL . 29.5 p90 -172.31 154.64 3.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.64 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.56 -135.98 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.538 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 28.3 m-85 -158.28 142.39 15.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.951 HG21 ' CE1' ' A' ' 36' ' ' PHE . 58.1 t -108.74 113.11 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.38 133.17 35.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.533 ' CE1' HD12 ' A' ' 18' ' ' LEU . 73.4 m-85 -121.06 165.05 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.468 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -70.0 -31.87 69.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.5 m -156.91 159.96 38.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -57.58 -44.23 85.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.29 -57.83 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.57 -46.26 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -56.28 -42.15 77.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -63.05 -53.53 52.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.34 -26.44 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.11 -24.78 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.467 ' NZ ' ' CZ2' ' A' ' 88' ' ' TRP . 4.8 ttpm? -68.65 -46.52 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -56.91 -35.8 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.04 -46.11 62.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.618 ' CB ' HD11 ' A' ' 86' ' ' LEU . 60.7 mmm -95.05 19.24 10.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.7 pt-20 -54.26 -51.32 64.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 3.1 p30 -112.91 19.07 17.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.92 161.85 54.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -133.95 118.48 17.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.346 . . . . 0.0 110.944 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.674 HD12 HD21 ' A' ' 23' ' ' LEU . 19.1 mt -88.62 138.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.4 t0 51.98 43.76 30.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.34 23.61 66.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -130.89 134.01 46.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -68.11 128.14 35.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.413 ' CG1' HD23 ' A' ' 23' ' ' LEU . 27.7 m -116.6 149.49 18.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.4 m -118.44 116.57 26.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.651 HD13 ' HE2' ' A' ' 36' ' ' PHE . 1.5 mt -89.18 125.25 34.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -140.66 134.99 31.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.533 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 66.0 m95 -59.12 129.6 42.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.837 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.425 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 2.4 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.959 0.409 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -80.7 -38.06 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' HB3' ' A' ' 58' ' ' PHE . 4.3 m -99.22 125.32 44.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.75 HD12 ' CE2' ' A' ' 61' ' ' PHE . 11.2 mt -91.88 145.4 24.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -97.87 116.68 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 t -107.67 117.68 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.48 ' CG ' ' HB ' ' A' ' 85' ' ' THR . 2.5 ptmm? -122.44 147.64 46.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.47 46.75 2.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.746 HD13 HG21 ' A' ' 27' ' ' THR . 95.7 mt -108.27 158.2 17.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 27' ' ' THR . 18.8 t -78.77 137.49 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.407 ' CD ' ' H ' ' A' ' 25' ' ' GLU . 2.0 mp0 -41.23 -27.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 15.3 m-20 -83.4 -36.3 24.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.746 HG21 HD13 ' A' ' 23' ' ' LEU . 3.4 m -34.42 121.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.081 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.44 ' C ' ' CD1' ' A' ' 44' ' ' ILE . 71.0 p -107.55 163.95 12.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.433 ' N ' HD12 ' A' ' 44' ' ' ILE . 21.8 mt-10 -59.17 -24.49 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -66.31 -51.75 54.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 t -73.65 -18.36 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.618 HD13 HD11 ' A' ' 23' ' ' LEU . 43.5 tp -84.98 -32.06 23.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 11.0 tttt -73.14 -52.9 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 36' ' ' PHE . 63.9 mt-10 -57.75 -40.83 80.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 m -38.28 -29.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.966 ' CE1' HG21 ' A' ' 59' ' ' VAL . 21.6 m-85 -107.23 111.46 23.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.51 79.48 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.88 -33.63 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.5 p -47.56 164.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -114.44 -30.18 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -152.46 165.98 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.488 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -146.97 151.9 37.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -142.96 147.05 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.44 ' CD1' ' C ' ' A' ' 28' ' ' THR . 68.3 mt -127.95 134.64 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.968 HG21 ' CE2' ' A' ' 56' ' ' PHE . 18.0 m -79.13 152.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.1 p -136.28 156.7 48.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -77.58 150.49 34.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -7.53 54.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -102.74 -50.98 3.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.8 p -89.81 -20.62 23.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.36 35.12 91.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -127.68 163.6 23.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.9 m -66.01 110.47 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 88.1 mttt -51.35 -54.21 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.31 33.56 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.968 ' CE2' HG21 ' A' ' 45' ' ' VAL . 21.8 p90 -171.11 158.3 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.642 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.59 -142.83 3.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.8 m-85 -156.01 139.96 16.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.966 HG21 ' CE1' ' A' ' 36' ' ' PHE . 41.2 t -110.11 120.98 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.82 148.45 31.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.75 ' CE2' HD12 ' A' ' 18' ' ' LEU . 71.0 m-85 -138.41 147.66 43.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -54.24 -27.97 38.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.7 m -167.74 159.53 11.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HG2' ' C ' ' A' ' 15' ' ' SER . 10.1 mt-10 -50.34 -47.1 56.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -50.04 -58.75 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -54.82 -38.72 67.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.443 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -60.08 -42.56 94.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -65.51 -55.38 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.43 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.054 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.21 -22.93 23.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.3 ttpp -75.81 -47.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -55.26 -30.83 60.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.45 -50.98 12.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.674 ' CB ' HD11 ' A' ' 86' ' ' LEU . 72.5 mmm -83.55 8.04 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -46.49 -39.17 10.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -124.82 26.42 7.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.9 159.51 36.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.478 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -133.82 117.23 16.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.445 HD12 HD21 ' A' ' 23' ' ' LEU . 13.0 mt -86.77 137.35 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 54.69 40.43 31.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.26 22.5 69.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.528 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -130.1 136.62 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -67.61 135.08 52.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 23.4 m -122.49 146.14 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.48 ' HB ' ' CG ' ' A' ' 21' ' ' LYS . 98.9 m -112.72 114.37 26.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.674 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.5 mt -91.37 129.08 37.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.29 141.97 29.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.543 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 71.3 m95 -61.49 127.55 32.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.07 179.869 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.9 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.94 0.4 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -79.2 -39.41 33.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.476 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 18.6 m -98.03 129.56 44.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.636 HD12 ' CE2' ' A' ' 61' ' ' PHE . 18.5 mt -96.84 140.06 31.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -93.47 116.65 29.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.0 t -105.93 116.08 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -122.09 148.15 45.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.06 29.98 6.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.667 HD22 HG21 ' A' ' 27' ' ' THR . 52.5 mt -93.17 170.99 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.5 t -94.73 140.66 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -42.35 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' SER . 1.2 m-20 -88.21 -34.53 17.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.667 HG21 HD22 ' A' ' 23' ' ' LEU . 55.4 m -39.31 112.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.8 p -96.72 157.34 15.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -53.62 -26.08 20.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -63.57 -55.53 23.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.1 t -70.02 -16.28 63.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.9 tp -82.63 -36.61 25.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 17.3 tttt -70.74 -56.53 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -51.05 -43.02 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -38.15 -36.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.624 ' CE1' HG21 ' A' ' 59' ' ' VAL . 16.2 m-85 -102.69 104.5 14.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.4 98.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.89 -41.8 1.28 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -44.38 160.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.8 m -103.21 -34.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -156.83 170.66 21.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -144.91 158.43 43.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -143.06 152.28 41.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.7 mt -133.84 143.57 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.635 HG21 ' CE2' ' A' ' 56' ' ' PHE . 1.8 m -89.23 158.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 53' ' ' SER . 80.1 p -141.73 157.97 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.9 151.29 37.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -90.64 -15.75 29.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -94.06 -56.58 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.0 p -82.44 -34.94 27.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.5 38.92 27.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.9 t -132.49 143.93 50.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.487 ' HA ' HG22 ' A' ' 46' ' ' THR . 6.7 m -48.06 110.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.548 ' HD2' ' CZ ' ' A' ' 56' ' ' PHE . 59.6 mttt -51.48 -46.69 63.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.46 29.12 0.39 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.635 ' CE2' HG21 ' A' ' 45' ' ' VAL . 1.8 p90 -164.93 149.32 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -151.25 -134.33 2.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.487 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 43.3 m-85 -158.63 158.54 34.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.924 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.624 HG21 ' CE1' ' A' ' 36' ' ' PHE . 40.3 t -124.17 112.08 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.22 126.71 31.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.636 ' CE2' HD12 ' A' ' 18' ' ' LEU . 49.2 m-85 -116.78 159.84 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -66.5 -32.07 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.6 m -162.8 150.79 13.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.781 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.426 ' HG2' ' C ' ' A' ' 15' ' ' SER . 18.0 mt-10 -42.36 -53.15 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.23 -62.64 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.4 -39.3 56.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.57 -51.52 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -56.86 -54.82 42.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.11 -30.73 6.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.7 -26.9 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.7 ttpp -67.76 -47.88 67.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -59.27 -28.88 67.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.21 -53.94 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.444 ' CB ' HD11 ' A' ' 86' ' ' LEU . 61.2 mmm -86.27 10.68 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 25.9 pt-20 -45.79 -48.73 15.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 1.4 p30 -114.98 24.33 11.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.78 160.98 43.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -134.69 117.44 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.497 HD12 HD21 ' A' ' 23' ' ' LEU . 11.1 mt -86.86 138.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 t70 50.27 44.73 26.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.96 28.13 68.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -134.15 131.41 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.942 0.401 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -65.47 129.38 39.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.3 m -119.46 147.39 23.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 97.4 m -115.39 121.59 43.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.444 HD11 ' CB ' ' A' ' 74' ' ' MET . 1.5 mt -95.31 129.88 42.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -144.1 143.15 31.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.543 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 60.8 m95 -62.58 104.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.874 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.544 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.1 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' CG ' ' HG3' ' A' ' 64' ' ' GLU . 9.4 mtmp? -79.9 -31.5 40.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.486 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 28.3 m -97.98 131.06 44.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.518 HD12 ' CE2' ' A' ' 61' ' ' PHE . 22.1 mt -98.93 128.97 45.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 45.5 t80 -84.28 120.69 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.422 HG21 HD11 ' A' ' 32' ' ' LEU . 86.3 t -108.54 114.42 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 9.2 pttp -120.53 138.78 53.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.34 36.85 2.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.607 HD21 HD12 ' A' ' 79' ' ' ILE . 61.3 mt -96.59 174.24 6.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' THR . 6.0 t -97.87 140.87 31.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -42.05 -23.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.0 p-10 -90.32 -34.1 15.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.584 HG21 HD22 ' A' ' 23' ' ' LEU . 19.9 m -34.24 120.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.457 ' O ' HG22 ' A' ' 31' ' ' THR . 53.8 p -105.19 159.65 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' N ' HD12 ' A' ' 44' ' ' ILE . 45.6 mt-10 -57.98 -27.89 63.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -50.55 67.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 28' ' ' THR . 1.8 t -72.92 -17.37 61.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 79' ' ' ILE . 50.4 tp -83.21 -39.82 20.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 11.9 tttm -67.4 -56.27 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' PHE . 35.6 mm-40 -50.2 -45.66 53.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' GLU . 28.3 m -36.41 -31.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.916 ' CE1' HG21 ' A' ' 59' ' ' VAL . 11.7 m-85 -105.0 110.11 22.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.42 88.75 1.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.43 -40.9 0.96 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.546 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.6 p -43.73 165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m -111.35 -36.77 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -152.02 162.79 40.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.414 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -139.63 157.37 45.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -140.94 152.24 44.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 29' ' ' GLU . 86.4 mt -135.08 140.22 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.034 HG21 ' CE2' ' A' ' 56' ' ' PHE . 35.3 m -85.35 152.82 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.656 HG22 ' HA ' ' A' ' 53' ' ' SER . 72.7 p -138.89 155.98 47.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.429 ' CG ' ' HG2' ' A' ' 49' ' ' GLU . 28.5 t0 -71.91 158.33 36.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -94.68 -21.68 18.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HG2' ' CG ' ' A' ' 47' ' ' ASP . 8.5 pt-20 -86.19 -45.46 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 p -93.55 -31.68 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.71 37.17 52.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -130.78 165.77 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.884 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.656 ' HA ' HG22 ' A' ' 46' ' ' THR . 5.4 t -60.22 115.79 3.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 46' ' ' THR . 17.4 mtmm -60.49 -50.39 73.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.81 33.04 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 1.034 ' CE2' HG21 ' A' ' 45' ' ' VAL . 27.6 p90 -175.03 155.8 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.628 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.15 -137.67 2.32 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 20.1 m-85 -155.5 159.27 39.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.392 . . . . 0.0 110.845 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.916 HG21 ' CE1' ' A' ' 36' ' ' PHE . 71.5 t -124.4 115.15 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -77.98 142.16 38.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 59' ' ' VAL . 54.5 m-85 -134.87 152.04 51.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.584 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -57.02 -35.15 68.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.4 m -158.77 160.04 35.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.451 ' HG3' ' CG ' ' A' ' 16' ' ' LYS . 41.5 mt-10 -51.0 -46.6 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -51.2 -62.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.66 -36.57 36.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.2 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -55.26 -55.06 35.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.53 -29.66 37.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.29 -21.01 33.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.8 ttpp -73.1 -46.07 53.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.97 -31.67 70.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.26 -51.54 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.578 ' CB ' HD11 ' A' ' 86' ' ' LEU . 54.8 mmm -88.92 7.79 32.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 18.3 pt-20 -41.32 -52.41 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 36.3 m-20 -112.64 24.14 12.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.71 159.98 46.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -134.2 116.74 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.607 HD12 HD21 ' A' ' 23' ' ' LEU . 14.6 mt -84.01 135.48 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 t70 53.21 41.84 32.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.24 22.68 71.12 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -128.55 131.33 48.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -66.7 127.82 33.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.1 m -117.82 146.42 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.0 m -112.17 119.88 39.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.3 mt -94.1 128.81 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -143.47 144.53 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.545 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 64.2 m95 -63.19 130.19 43.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.886 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.549 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.3 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.952 0.406 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -84.06 -32.58 24.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 58' ' ' PHE . 4.4 m -98.32 125.58 43.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.65 HD12 ' CE2' ' A' ' 61' ' ' PHE . 13.4 mt -94.45 127.4 40.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 23.3 t80 -84.16 121.98 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG11 HD11 ' A' ' 32' ' ' LEU . 35.6 t -111.78 115.96 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -120.17 141.78 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.19 41.07 2.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.772 HD13 HG21 ' A' ' 27' ' ' THR . 91.4 mt -101.08 165.55 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' THR . 7.4 t -86.2 140.78 29.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -45.41 -21.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 0.4 OUTLIER -92.81 -29.78 15.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.772 HG21 HD13 ' A' ' 23' ' ' LEU . 3.2 m -39.11 120.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' THR . 42.6 p -104.72 156.99 17.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.512 ' N ' HD12 ' A' ' 44' ' ' ILE . 17.7 mt-10 -55.49 -24.32 30.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -66.37 -51.73 54.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 28' ' ' THR . 2.4 t -73.09 -26.3 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.582 HD13 HD11 ' A' ' 23' ' ' LEU . 68.3 tp -72.67 -36.85 68.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 14.4 tttt -69.81 -65.11 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' SER . 29.2 mt-10 -41.09 -47.45 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' GLU . 34.6 m -34.69 -39.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.62 ' CE1' HG21 ' A' ' 59' ' ' VAL . 33.9 m-85 -99.99 105.85 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.7 98.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.09 -44.79 0.94 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.407 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 59.5 p -44.78 166.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.855 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.6 m -110.57 -30.67 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -156.57 171.49 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -149.57 153.51 37.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -136.05 147.95 48.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.512 HD12 ' N ' ' A' ' 29' ' ' GLU . 37.3 mt -128.7 138.92 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.566 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 1.7 m -84.77 154.59 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.414 HG22 ' HA ' ' A' ' 53' ' ' SER . 75.5 p -140.36 154.83 46.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -72.02 156.98 38.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -94.46 -20.65 19.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -57.92 2.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.3 p -81.26 -32.95 33.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.27 41.95 36.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -132.36 146.05 51.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.414 ' HA ' HG22 ' A' ' 46' ' ' THR . 2.7 t -47.38 106.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -46.94 -48.72 21.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.79 31.25 0.21 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 26.8 p90 -173.4 155.95 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.92 0.39 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.655 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.27 -131.98 1.52 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 41.5 m-85 -160.55 153.36 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.62 HG21 ' CE1' ' A' ' 36' ' ' PHE . 41.7 t -121.13 116.67 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.11 137.58 34.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.65 ' CE2' HD12 ' A' ' 18' ' ' LEU . 74.1 m-85 -129.3 157.51 41.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.513 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -59.3 -31.04 68.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.7 m -167.88 157.63 10.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' HG2' ' C ' ' A' ' 15' ' ' SER . 11.9 mt-10 -46.66 -40.81 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -54.36 -63.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.44 ' CG ' ' OD1' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -51.18 -40.06 57.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.36 -50.52 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -54.74 -55.39 30.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -28.43 20.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.45 -20.71 31.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 75' ' ' GLU . 18.8 ttpp -75.51 -46.04 34.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.57 -31.43 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.04 -52.37 19.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.514 ' CB ' HD11 ' A' ' 86' ' ' LEU . 59.9 mmm -90.92 5.91 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LYS . 21.5 pt-20 -40.61 -49.87 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 9.7 m-20 -116.29 24.59 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.3 163.95 47.24 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.425 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -131.8 122.6 26.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.405 HG13 HG11 ' A' ' 84' ' ' VAL . 6.8 mt -92.28 135.96 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 51.93 43.15 30.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.67 25.24 70.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -133.12 132.66 41.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -66.56 131.67 46.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.416 HG12 HD23 ' A' ' 23' ' ' LEU . 19.9 m -121.29 143.59 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.6 m -109.46 119.64 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.609 HD13 ' HE2' ' A' ' 36' ' ' PHE . 1.5 mt -93.13 129.53 39.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.984 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -146.52 143.06 28.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.549 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 69.8 m95 -63.94 110.45 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.059 179.894 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.468 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 35.2 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.893 0.378 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -79.25 -29.58 42.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.487 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 12.2 m -98.71 126.91 44.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.625 HD12 ' CE1' ' A' ' 61' ' ' PHE . 12.9 mt -94.93 127.84 41.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 17.9 t80 -84.25 121.45 27.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 32' ' ' LEU . 57.8 t -113.92 114.87 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.42 152.21 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.66 38.53 4.67 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.73 HD13 HG21 ' A' ' 27' ' ' THR . 92.4 mt -101.93 154.49 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' THR . 21.4 t -81.22 140.45 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -42.07 -23.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -84.37 -38.19 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.73 HG21 HD13 ' A' ' 23' ' ' LEU . 4.9 m -36.52 121.69 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 31' ' ' THR . 34.2 p -106.1 155.56 19.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.432 ' N ' HD12 ' A' ' 44' ' ' ILE . 25.3 mt-10 -54.29 -24.79 20.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.6 -49.51 62.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 28' ' ' THR . 1.6 t -73.89 -18.11 60.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 HD11 ' A' ' 23' ' ' LEU . 55.7 tp -81.76 -38.61 25.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 14.9 tttt -67.36 -56.5 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 36' ' ' PHE . 43.5 mt-10 -51.32 -42.46 61.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -39.4 -26.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.85 ' CE1' HG21 ' A' ' 59' ' ' VAL . 13.2 m-85 -112.61 105.68 13.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -68.15 94.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.44 -44.98 0.95 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.5 p -39.42 158.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 m -103.28 -36.17 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -153.59 167.46 29.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -144.85 156.79 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 -139.77 151.15 45.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 29' ' ' GLU . 22.2 mt -135.37 132.44 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.862 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 5.0 m -73.15 156.56 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.2 p -141.99 150.0 40.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' OD2' HG23 ' A' ' 50' ' ' THR . 31.9 t0 -76.67 144.38 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.818 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.2 ptt-85 -90.12 -12.52 38.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -88.56 -36.05 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.415 HG23 ' OD2' ' A' ' 47' ' ' ASP . 4.9 p -110.46 -36.87 5.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.2 25.21 29.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 m -117.77 165.21 13.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.2 t -65.5 115.86 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -54.95 -49.22 71.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.82 32.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.862 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 41.5 p90 -173.08 152.85 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.588 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.12 -145.38 4.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.6 m-85 -152.0 143.3 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.85 HG21 ' CE1' ' A' ' 36' ' ' PHE . 59.5 t -110.83 114.9 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.71 140.82 40.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.625 ' CE1' HD12 ' A' ' 18' ' ' LEU . 62.3 m-85 -132.95 152.69 51.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -57.2 -31.3 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 m -168.29 153.3 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HG2' ' C ' ' A' ' 15' ' ' SER . 29.3 mt-10 -41.9 -44.88 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -51.57 -64.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.91 -36.35 27.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.99 67.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -53.93 -55.98 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.42 -27.7 16.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.076 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.27 -25.48 27.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HE2' ' NE1' ' A' ' 88' ' ' TRP . 21.5 ttpp -70.37 -48.28 57.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 75' ' ' GLU . 17.1 mt-10 -57.45 -35.91 70.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.32 -56.92 11.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.428 ' CB ' HD11 ' A' ' 86' ' ' LEU . 61.0 mmm -84.09 7.4 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 72' ' ' GLU . 15.4 pt-20 -39.59 -53.69 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -111.83 25.67 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.25 161.01 42.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -136.05 117.59 14.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.5 mt -87.89 137.59 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 t70 55.37 38.22 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.83 21.15 71.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -128.33 131.25 48.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -65.19 128.4 35.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.426 HG12 HD23 ' A' ' 23' ' ' LEU . 29.6 m -114.06 148.48 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.7 m -112.94 116.36 29.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.428 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.1 mt -91.63 129.65 37.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -148.18 145.83 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.468 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 77.8 m95 -67.2 119.87 12.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.88 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.434 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 2.8 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.974 0.416 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -71.66 -27.35 63.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 58' ' ' PHE . 7.2 m -102.46 123.72 46.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 mt -93.41 126.41 38.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 87' ' ' ASP . 18.7 t80 -84.16 113.83 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.576 HG11 HD11 ' A' ' 32' ' ' LEU . 40.0 t -105.33 106.59 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.168 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -116.82 145.12 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.52 30.27 5.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.615 HD13 HG21 ' A' ' 27' ' ' THR . 68.2 mt -90.98 166.66 12.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 27' ' ' THR . 13.8 t -91.6 140.66 29.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -41.71 -24.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' SER . 42.0 m-20 -86.44 -36.58 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.615 HG21 HD13 ' A' ' 23' ' ' LEU . 4.3 m -34.54 126.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' THR . 36.7 p -112.27 158.35 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.439 ' N ' HD12 ' A' ' 44' ' ' ILE . 7.4 mt-10 -57.68 -25.73 60.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.86 -50.21 65.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 28' ' ' THR . 1.7 t -74.28 -20.2 60.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.576 HD11 HG11 ' A' ' 20' ' ' VAL . 58.2 tp -78.07 -37.6 46.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 13.4 tttm -68.81 -53.29 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' PHE . 67.9 mm-40 -57.21 -41.17 78.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.4 m -38.5 -28.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.945 ' CE1' HG21 ' A' ' 59' ' ' VAL . 13.1 m-85 -110.83 109.09 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -72.24 90.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.03 -35.49 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.419 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 56.1 p -47.41 172.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.418 ' C ' ' HE2' ' A' ' 33' ' ' LYS . 29.5 m -119.06 -34.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -151.88 164.35 37.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -136.28 155.77 49.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -140.53 141.5 35.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.439 HD12 ' N ' ' A' ' 29' ' ' GLU . 13.2 mt -128.68 137.66 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.903 HG21 ' CE2' ' A' ' 56' ' ' PHE . 13.1 m -84.52 153.78 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -141.74 154.6 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -74.61 158.44 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -92.71 -14.69 27.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -97.03 -56.3 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.2 p -81.5 -31.15 33.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.78 28.27 69.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -116.27 167.14 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 t -67.22 114.3 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.512 ' HD3' ' CZ ' ' A' ' 56' ' ' PHE . 27.0 mtpt -56.66 -42.65 79.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.35 27.13 0.77 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.903 ' CE2' HG21 ' A' ' 45' ' ' VAL . 1.3 p90 -163.93 158.33 19.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -163.05 -145.21 4.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.1 m-85 -154.41 148.1 25.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.945 HG21 ' CE1' ' A' ' 36' ' ' PHE . 89.2 t -117.16 114.23 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.74 147.27 37.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.738 ' CE1' HG12 ' A' ' 59' ' ' VAL . 71.9 m-85 -138.59 158.53 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.438 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -63.93 -30.48 71.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 m -165.88 150.04 8.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' C ' ' A' ' 15' ' ' SER . 22.4 mt-10 -44.61 -38.58 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.53 -59.71 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -37.13 68.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.17 89.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -67.02 -49.18 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.93 -24.75 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.44 -31.53 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.628 ' HA ' HD12 ' A' ' 86' ' ' LEU . 23.8 ttpp -66.92 -41.01 87.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.51 -31.13 71.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.99 -49.3 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.538 ' CB ' HD11 ' A' ' 86' ' ' LEU . 56.0 mmm -87.8 14.04 9.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 14.5 pt-20 -55.27 -43.88 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 2.0 m-20 -115.79 18.32 15.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.1 162.1 51.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HB2' ' C ' ' A' ' 82' ' ' ASN . 6.7 pt-20 -135.88 116.95 14.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.551 HD12 HD21 ' A' ' 23' ' ' LEU . 25.1 mt -84.02 138.98 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.0 t70 50.83 41.96 27.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.92 26.7 71.44 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.46 ' ND2' ' HB2' ' A' ' 24' ' ' SER . 45.7 m-20 -133.21 131.64 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -65.79 130.81 44.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.4 m -119.41 149.36 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.7 m -117.81 115.8 25.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 71' ' ' LYS . 2.4 mt -89.88 121.17 31.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 19' ' ' PHE . 22.2 t0 -135.9 136.43 40.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.485 ' NE1' ' HE2' ' A' ' 71' ' ' LYS . 58.9 m95 -60.62 105.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.581 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 4.9 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -70.84 -35.13 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.483 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 28.0 m -99.99 125.02 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.623 HD12 ' CE2' ' A' ' 61' ' ' PHE . 13.2 mt -92.97 139.88 30.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 47.0 t80 -94.01 116.7 29.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t -107.61 110.6 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 3.5 pttp -118.0 148.4 42.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 37.21 4.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.486 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.532 HD13 HG21 ' A' ' 27' ' ' THR . 87.9 mt -100.4 163.6 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 27' ' ' THR . 3.6 t -85.04 138.51 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -41.36 -24.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.1 p30 -85.06 -37.42 20.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.532 HG21 HD13 ' A' ' 23' ' ' LEU . 30.8 m -35.65 118.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 31' ' ' THR . 82.3 p -104.22 160.05 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.541 ' N ' HD12 ' A' ' 44' ' ' ILE . 27.9 mt-10 -54.37 -28.46 43.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -60.83 -57.86 10.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 28' ' ' THR . 2.0 t -66.91 -19.33 65.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD13 HD11 ' A' ' 23' ' ' LEU . 51.8 tp -79.89 -36.77 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -71.52 -52.14 19.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.7 -41.32 77.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.5 m -38.58 -37.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.872 ' CE1' HG21 ' A' ' 59' ' ' VAL . 7.8 m-85 -103.99 107.57 18.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.23 93.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.9 -40.35 1.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.6 p -42.02 156.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.2 m -100.17 -35.66 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.5 mmt-85 -153.08 170.72 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.0 144.97 31.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -130.16 148.13 51.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.541 HD12 ' N ' ' A' ' 29' ' ' GLU . 71.5 mt -133.33 135.65 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.923 HG21 ' CE2' ' A' ' 56' ' ' PHE . 14.5 m -79.37 153.07 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 53' ' ' SER . 82.7 p -140.86 160.8 39.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.97 156.35 36.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.2 ttt85 -94.6 -15.27 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' HG3' HG23 ' A' ' 50' ' ' THR . 9.8 pt-20 -94.5 -48.27 6.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.418 HG23 ' HG3' ' A' ' 49' ' ' GLU . 65.1 p -92.4 -32.77 14.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.07 35.12 39.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.7 t -122.68 163.18 20.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.486 ' HA ' HG22 ' A' ' 46' ' ' THR . 8.6 t -66.58 117.28 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.792 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 43.7 mttm -61.23 -51.58 68.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.77 35.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.923 ' CE2' HG21 ' A' ' 45' ' ' VAL . 23.2 p90 -173.52 150.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.593 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.99 -143.54 3.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 15.7 m-85 -152.86 146.8 25.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.872 HG21 ' CE1' ' A' ' 36' ' ' PHE . 62.1 t -112.62 114.65 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 61' ' ' PHE . 11.0 t0 -77.57 136.91 38.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.623 ' CE2' HD12 ' A' ' 18' ' ' LEU . 68.7 m-85 -127.72 157.74 39.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.563 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.4 OUTLIER -62.66 -36.48 83.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.4 m -160.99 147.43 14.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' HG2' ' C ' ' A' ' 15' ' ' SER . 34.6 mt-10 -37.71 -51.6 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -44.29 -64.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -43.8 53.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.34 -53.2 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -55.62 -50.27 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.32 -33.15 41.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.2 -35.72 35.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.546 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.9 ttpp -57.25 -47.78 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -61.54 -29.13 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.35 -40.73 73.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.574 ' HB2' HD11 ' A' ' 86' ' ' LEU . 66.5 mmm -102.22 9.83 39.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 9.5 pt-20 -42.02 -39.68 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 4.1 t70 -123.22 17.96 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.68 160.25 52.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -133.96 116.64 15.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.508 HD12 HD21 ' A' ' 23' ' ' LEU . 24.4 mt -87.07 138.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 t70 53.84 39.15 30.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.88 21.9 69.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -129.32 135.61 48.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.939 0.4 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -66.68 127.79 33.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.3 m -115.27 142.33 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.1 m -109.5 112.1 24.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 74' ' ' MET . 2.9 mt -87.48 125.81 34.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -140.26 147.72 40.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.581 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 33.6 m95 -68.65 126.3 29.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.444 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 4.9 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.933 0.397 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -72.82 -34.37 66.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.535 HG22 ' HB3' ' A' ' 58' ' ' PHE . 5.3 m -98.02 135.05 40.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.817 HD11 ' O ' ' A' ' 67' ' ' ALA . 14.1 mt -104.31 129.91 52.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 66.4 t80 -85.72 126.51 34.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG11 HD11 ' A' ' 32' ' ' LEU . 30.8 t -115.67 115.65 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 27.1 pttt -119.35 144.9 46.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.3 41.72 2.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.476 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 27' ' ' THR . 81.2 mt -105.95 164.32 12.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.9 t -84.47 140.65 31.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -44.55 -22.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 24' ' ' SER . 1.1 p30 -88.96 -32.54 17.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.68 HG21 HD13 ' A' ' 23' ' ' LEU . 9.6 m -36.82 123.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.422 ' O ' HG22 ' A' ' 31' ' ' THR . 19.1 p -107.73 157.06 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.53 ' N ' HD12 ' A' ' 44' ' ' ILE . 15.6 mt-10 -57.24 -24.33 53.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -65.39 -51.31 61.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 28' ' ' THR . 1.4 t -71.16 -32.02 68.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.573 HD13 HD11 ' A' ' 23' ' ' LEU . 48.1 tp -67.43 -38.28 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -67.27 -54.31 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -51.36 -44.35 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 m -38.46 -31.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.739 ' CE1' HG21 ' A' ' 59' ' ' VAL . 23.4 m-85 -108.29 107.47 18.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.32 95.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.68 -40.68 1.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.531 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.424 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 97.2 p -43.25 151.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.977 0.418 . . . . 0.0 110.787 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 41' ' ' ARG . 34.0 m -92.37 -42.76 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.456 ' N ' HG23 ' A' ' 40' ' ' VAL . 38.6 mmt180 -152.63 167.44 28.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.44 158.28 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -140.18 156.54 46.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.53 HD12 ' N ' ' A' ' 29' ' ' GLU . 86.0 mt -135.97 142.67 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.97 HG21 ' CE2' ' A' ' 56' ' ' PHE . 15.6 m -84.25 152.87 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.4 p -138.04 153.69 49.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.88 158.36 30.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -17.78 22.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -92.97 -58.28 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.3 p -80.96 -26.56 36.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.97 37.03 91.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -128.19 161.86 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 t -61.84 111.77 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HD2' ' CZ ' ' A' ' 56' ' ' PHE . 79.3 mttt -52.92 -49.2 66.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.09 35.9 0.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.97 ' CE2' HG21 ' A' ' 45' ' ' VAL . 41.4 p90 -175.09 151.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.546 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.79 -144.86 4.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.5 m-85 -148.6 156.6 42.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 36' ' ' PHE . 21.4 t -123.75 120.92 61.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -85.6 143.41 28.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.708 ' CE2' HD12 ' A' ' 18' ' ' LEU . 67.1 m-85 -131.94 156.16 46.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.437 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.3 OUTLIER -66.78 -22.38 66.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 m -167.86 142.39 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HG2' ' C ' ' A' ' 15' ' ' SER . 39.7 mt-10 -42.85 -27.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.23 -47.61 76.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -34.9 77.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.817 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -66.27 -39.66 89.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -68.5 -56.72 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.97 -34.36 28.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.59 -21.87 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 25.1 ttpp -73.92 -50.46 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -55.36 -25.26 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.08 -56.01 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.565 ' CB ' HD11 ' A' ' 86' ' ' LEU . 51.9 mmm -84.21 4.36 31.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' LYS . 16.8 pt-20 -37.82 -50.78 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 75' ' ' GLU . 3.8 p30 -113.32 10.83 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.818 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.22 159.97 40.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -131.38 115.92 16.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.342 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.651 HD12 HD21 ' A' ' 23' ' ' LEU . 22.2 mt -82.6 139.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 79' ' ' ILE . 7.1 p-10 46.61 48.86 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 57.43 33.17 65.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -140.46 135.87 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.66 141.56 58.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.3 m -134.63 145.69 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.145 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.5 m -110.31 121.42 45.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.565 HD11 ' CB ' ' A' ' 74' ' ' MET . 4.3 mt -96.99 126.72 42.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -137.26 165.43 26.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.545 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 51.4 m95 -88.13 125.8 34.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.8 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.948 0.404 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -71.03 -35.26 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.445 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 6.8 m -98.05 126.0 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.809 HD12 ' CE2' ' A' ' 61' ' ' PHE . 14.0 mt -94.79 136.93 34.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 14.3 t80 -89.22 116.82 27.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.498 HG21 HD11 ' A' ' 32' ' ' LEU . 58.7 t -106.08 107.15 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -117.02 138.26 51.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.69 38.46 1.74 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.732 HD22 HG21 ' A' ' 27' ' ' THR . 63.5 mt -98.79 177.4 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 27' ' ' THR . 12.1 t -100.03 140.74 33.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -42.62 -23.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' SER . 29.3 m-20 -91.24 -32.82 15.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.732 HG21 HD22 ' A' ' 23' ' ' LEU . 73.6 m -38.61 122.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.536 ' O ' HG22 ' A' ' 31' ' ' THR . 46.9 p -104.51 160.61 14.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.575 ' N ' HD12 ' A' ' 44' ' ' ILE . 12.4 mt-10 -59.02 -26.42 64.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.14 -49.79 75.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 28' ' ' THR . 4.2 t -73.34 -19.24 61.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 20' ' ' VAL . 50.3 tp -76.74 -38.5 54.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -67.15 -58.41 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' PHE . 56.5 mt-10 -53.76 -43.37 69.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' GLU . 15.1 m -34.82 -32.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.876 ' CE1' HG21 ' A' ' 59' ' ' VAL . 20.3 m-85 -108.36 111.16 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.8 85.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.33 -39.38 0.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -45.97 171.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.6 m -121.4 -33.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -155.29 172.52 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.46 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -149.25 152.56 36.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.0 mtm105 -134.96 128.69 32.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.575 HD12 ' N ' ' A' ' 29' ' ' GLU . 72.7 mt -110.72 144.28 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.636 HG21 ' CE1' ' A' ' 56' ' ' PHE . 3.1 m -86.11 157.98 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.5 p -141.59 150.48 42.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.01 159.15 34.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -94.23 -23.65 17.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -89.84 -56.21 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 p -80.19 -31.61 38.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.37 41.82 76.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.5 t -132.06 164.85 25.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -62.34 108.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -50.53 -49.25 56.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.77 30.72 0.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.636 ' CE1' HG21 ' A' ' 45' ' ' VAL . 42.8 p90 -175.0 158.89 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.588 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.7 -132.26 1.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 53.6 m-85 -159.81 144.34 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.365 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.876 HG21 ' CE1' ' A' ' 36' ' ' PHE . 86.3 t -108.72 116.16 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -82.96 128.31 34.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.809 ' CE2' HD12 ' A' ' 18' ' ' LEU . 43.0 m-85 -119.03 157.36 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -63.37 -33.07 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.4 m -162.29 149.74 13.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -40.86 -43.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -54.24 -63.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -35.34 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.47 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -65.4 -46.54 79.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -57.05 12.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.74 -27.56 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.31 -26.0 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.541 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 23.9 ttpp -68.41 -49.92 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.14 -28.11 56.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.91 -55.31 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.536 ' CB ' HD11 ' A' ' 86' ' ' LEU . 46.2 mmm -84.3 5.21 27.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 22.6 pt-20 -40.69 -52.23 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 33.7 t70 -112.18 24.92 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.5 162.73 43.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -133.88 118.66 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.639 HD12 HD21 ' A' ' 23' ' ' LEU . 12.6 mt -86.99 135.76 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 52.35 45.16 28.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.44 22.47 63.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -129.3 133.81 47.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.14 127.78 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.442 ' CG1' HD23 ' A' ' 23' ' ' LEU . 25.0 m -118.02 145.38 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.1 m -111.93 123.04 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.603 HD13 ' HE2' ' A' ' 36' ' ' PHE . 2.3 mt -98.01 125.78 43.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -142.76 139.05 30.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.541 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 67.5 m95 -58.93 122.13 12.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.102 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 3.5 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.959 0.409 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -82.7 -33.9 27.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.479 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 16.9 m -98.31 124.65 43.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.644 HD12 ' CE1' ' A' ' 61' ' ' PHE . 12.6 mt -95.62 128.6 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -84.18 123.13 29.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.483 HG11 HD11 ' A' ' 32' ' ' LEU . 44.8 t -113.41 115.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' CG ' ' HB ' ' A' ' 85' ' ' THR . 24.6 pttt -121.09 148.65 43.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.8 44.07 3.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.427 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.544 HD21 HD12 ' A' ' 79' ' ' ILE . 88.9 mt -105.88 162.49 13.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.3 t -82.52 140.11 33.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -44.65 -22.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 24' ' ' SER . 10.2 t0 -90.0 -31.83 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.504 HG21 HD13 ' A' ' 23' ' ' LEU . 21.1 m -38.37 115.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 31' ' ' THR . 41.7 p -101.8 159.34 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -56.74 -23.42 42.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -64.92 -52.94 53.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 28' ' ' THR . 3.2 t -71.34 -29.04 64.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.493 HD12 ' CD1' ' A' ' 79' ' ' ILE . 48.6 tp -68.85 -38.18 79.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -67.19 -55.4 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' SER . 74.5 mm-40 -53.29 -44.32 68.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' GLU . 3.3 m -36.12 -37.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.9 ' CE1' HG21 ' A' ' 59' ' ' VAL . 22.5 m-85 -103.48 108.76 20.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -71.42 93.99 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.63 -38.89 1.4 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.6 p -44.54 164.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.8 m -114.35 -34.61 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -148.31 162.61 39.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.45 147.34 33.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -131.38 145.99 52.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -131.37 134.78 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.864 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 4.8 m -75.53 157.74 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.9 p -140.19 146.15 38.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 49' ' ' GLU . 30.8 t70 -75.09 159.1 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -95.89 -25.46 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.491 ' N ' ' OD2' ' A' ' 47' ' ' ASP . 9.4 tt0 -74.87 -58.94 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.6 p -86.17 -37.17 19.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.55 33.87 15.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -126.29 172.41 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.0 m -64.01 111.25 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HB2' HG23 ' A' ' 45' ' ' VAL . 19.5 mmmt -50.31 -50.65 50.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.64 31.69 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.864 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 26.0 p90 -170.99 154.27 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.599 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.52 -153.45 6.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 3.9 m-85 -148.22 138.35 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.9 HG21 ' CE1' ' A' ' 36' ' ' PHE . 92.0 t -107.85 117.3 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.43 140.85 33.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.644 ' CE1' HD12 ' A' ' 18' ' ' LEU . 79.3 m-85 -129.04 147.27 50.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -51.49 -37.62 49.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 64' ' ' GLU . 36.6 m -155.47 146.42 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.413 ' HG2' ' C ' ' A' ' 15' ' ' SER . 50.3 mt-10 -36.79 -49.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -45.48 -61.19 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.82 -42.4 58.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.63 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -59.24 -51.44 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -58.01 -57.29 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -47.69 -30.04 3.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.7 -30.48 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.532 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.2 ttpp -63.71 -47.35 81.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -61.5 -30.62 70.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.59 -49.82 61.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 44.4 mmm -94.11 10.95 31.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -39.34 -47.56 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -118.51 20.98 12.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -76.94 159.55 49.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -132.73 116.06 16.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.544 HD12 HD21 ' A' ' 23' ' ' LEU . 22.9 mt -84.91 137.7 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.7 t70 51.56 44.68 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.44 26.88 64.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -133.71 132.65 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -65.15 130.92 45.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.492 HG12 HD23 ' A' ' 23' ' ' LEU . 20.2 m -118.03 143.92 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.188 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.445 ' HB ' ' CG ' ' A' ' 21' ' ' LYS . 87.8 m -110.27 114.85 28.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mt -90.79 126.09 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -143.52 147.89 35.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.532 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 70.5 m95 -69.44 104.62 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.576 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.7 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.971 0.415 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -83.14 -33.11 26.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 58' ' ' PHE . 5.0 m -98.51 122.78 42.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.9 mt -95.24 130.95 41.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -84.23 124.7 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.473 HG11 HD11 ' A' ' 32' ' ' LEU . 41.2 t -112.03 122.43 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -126.52 149.88 49.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.56 34.49 5.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.642 HD13 HG21 ' A' ' 27' ' ' THR . 83.3 mt -98.62 157.81 16.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.356 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' THR . 10.9 t -82.56 139.51 33.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -41.41 -24.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' SER . 21.4 t0 -83.97 -37.91 21.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.642 HG21 HD13 ' A' ' 23' ' ' LEU . 18.8 m -34.89 129.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.0 p -115.97 163.28 16.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -60.93 -20.44 62.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.6 -54.89 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 t -73.15 -19.4 61.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.473 HD11 HG11 ' A' ' 20' ' ' VAL . 63.7 tp -78.52 -37.65 42.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HE3' ' C ' ' A' ' 40' ' ' VAL . 22.4 tttt -68.32 -57.22 6.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -47.99 -42.85 28.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.7 m -40.75 -28.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.829 ' CE1' HG21 ' A' ' 59' ' ' VAL . 13.5 m-85 -113.17 109.73 19.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.02 108.98 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.01 -42.43 1.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.7 p -39.63 151.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.69 HG23 ' HG2' ' A' ' 41' ' ' ARG . 3.9 m -96.73 -34.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.69 ' HG2' HG23 ' A' ' 40' ' ' VAL . 15.4 ptt180 -156.77 165.64 35.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.84 153.91 49.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -139.04 151.24 46.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.425 HG21 ' OG ' ' A' ' 53' ' ' SER . 18.8 mt -136.29 132.94 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.858 HG21 ' CE2' ' A' ' 56' ' ' PHE . 12.6 m -79.48 153.61 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 53' ' ' SER . 39.4 p -140.19 155.34 46.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -74.09 161.42 30.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -93.93 -21.77 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -88.42 -56.35 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.3 p -82.29 -24.09 34.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.64 34.64 90.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -125.63 166.62 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.581 ' HA ' HG22 ' A' ' 46' ' ' THR . 4.0 m -61.08 119.97 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 56' ' ' PHE . 29.2 mtpt -61.88 -35.7 79.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.12 20.15 1.86 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.858 ' CE2' HG21 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -158.94 153.09 23.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.631 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -153.69 -149.96 5.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 4.5 m-85 -149.42 137.01 20.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.829 HG21 ' CE1' ' A' ' 36' ' ' PHE . 58.1 t -108.42 112.47 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.431 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 3.0 m-20 -77.21 155.87 31.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.599 ' CE1' HG12 ' A' ' 59' ' ' VAL . 74.4 m-85 -145.08 144.16 30.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -47.03 -32.92 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.0 m -161.36 159.28 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' C ' ' A' ' 15' ' ' SER . 39.2 mt-10 -50.29 -37.24 35.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -58.02 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.65 -43.64 26.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -57.94 -53.01 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -52.28 -55.58 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.26 -31.48 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.09 -25.5 36.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.491 ' HE2' ' NE1' ' A' ' 88' ' ' TRP . 24.5 ttpp -70.65 -49.86 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.75 -24.87 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.66 -44.62 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.572 ' CB ' HD11 ' A' ' 86' ' ' LEU . 55.6 mmm -98.91 13.8 31.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 71' ' ' LYS . 10.5 pt-20 -52.31 -40.05 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -122.32 25.96 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.7 163.1 40.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -136.13 118.74 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.435 HD12 HD21 ' A' ' 23' ' ' LEU . 9.1 mt -87.79 137.95 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 51.13 46.09 26.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.25 21.64 62.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -126.48 133.18 51.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.369 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 127.8 33.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.44 ' CG1' HD23 ' A' ' 23' ' ' LEU . 29.7 m -114.69 149.87 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.2 m -118.12 114.65 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.572 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.1 mt -89.06 126.71 35.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -142.46 135.34 28.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.576 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 66.5 m95 -55.61 130.38 42.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.429 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 1.8 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -86.25 -33.0 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 58' ' ' PHE . 8.4 m -98.72 132.0 44.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.628 HD12 ' CE1' ' A' ' 61' ' ' PHE . 13.4 mt -102.47 130.3 49.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 21' ' ' LYS . 31.4 t80 -84.2 119.64 25.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 32' ' ' LEU . 65.9 t -109.25 122.18 63.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 10.2 pttt -127.13 147.97 50.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.19 37.36 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.579 HD22 HG21 ' A' ' 27' ' ' THR . 72.0 mt -98.53 167.33 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 27' ' ' THR . 10.0 t -91.03 140.65 29.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -42.41 -23.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' SER . 36.8 t0 -88.85 -34.49 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.579 HG21 HD22 ' A' ' 23' ' ' LEU . 22.5 m -36.17 115.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.428 ' O ' HG22 ' A' ' 31' ' ' THR . 62.3 p -101.44 158.32 16.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -54.24 -25.29 22.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -65.06 -57.76 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 28' ' ' THR . 3.7 t -65.29 -29.2 69.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.506 HD11 HG11 ' A' ' 20' ' ' VAL . 50.2 tp -70.32 -39.49 74.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -69.53 -52.03 30.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -55.44 -42.21 73.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -38.6 -36.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.944 ' CE1' HG21 ' A' ' 59' ' ' VAL . 25.1 m-85 -98.97 110.27 22.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.27 47.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.1 27.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 97.8 p -109.8 172.83 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.398 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.422 HG11 ' OD1' ' A' ' 62' ' ' ASN . 27.5 m -118.79 -35.67 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.0 mtt85 -150.73 163.25 39.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.74 155.66 45.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -144.91 150.96 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.6 mt -135.37 138.36 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.949 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 12.0 m -78.5 156.12 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.3 p -141.65 154.75 45.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -79.05 155.98 28.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -92.17 -16.69 25.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -92.35 -55.1 3.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -84.39 -34.09 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.85 40.67 35.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 m -132.13 166.29 22.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 t -63.84 109.43 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HB2' HG23 ' A' ' 45' ' ' VAL . 42.3 mttm -51.24 -47.81 62.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.78 31.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.448 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.949 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 48.1 p90 -171.55 152.05 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.884 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.411 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.98 -145.14 4.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.519 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.495 ' HB3' HG22 ' A' ' 17' ' ' THR . 46.9 m-85 -152.56 145.45 24.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.944 HG21 ' CE1' ' A' ' 36' ' ' PHE . 83.8 t -111.82 113.75 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.53 149.08 36.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.641 ' CE1' HG12 ' A' ' 59' ' ' VAL . 88.9 m-85 -139.49 153.33 47.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.422 ' OD1' HG11 ' A' ' 40' ' ' VAL . 3.9 m120 -62.08 -30.53 71.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.6 m -161.47 147.17 13.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.429 ' HG2' ' C ' ' A' ' 15' ' ' SER . 25.1 mt-10 -39.34 -45.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -48.93 -60.48 2.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -50.41 -44.4 55.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.402 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -57.34 -54.57 45.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -53.74 -57.79 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.71 -28.41 9.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.91 -21.64 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.54 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.4 ttpp -74.14 -47.24 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -57.01 -37.95 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.9 -50.68 63.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.559 ' CB ' HD11 ' A' ' 86' ' ' LEU . 63.8 mmm -87.13 4.73 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.7 pt-20 -39.77 -51.04 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 13.9 t0 -115.65 27.39 9.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.69 159.56 38.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -135.17 118.24 16.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.566 HD12 HD21 ' A' ' 23' ' ' LEU . 10.9 mt -88.28 137.77 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 t70 52.89 39.31 28.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.79 25.0 73.01 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -130.9 130.51 43.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -66.83 127.27 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.3 m -114.92 146.95 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 85.9 m -113.43 120.48 41.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.559 HD11 ' CB ' ' A' ' 74' ' ' MET . 1.2 mt -97.29 123.61 41.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.38 144.61 38.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.54 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 78.2 m95 -64.02 121.32 13.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.892 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.9 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -60.98 -38.02 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.482 HG22 ' HB3' ' A' ' 58' ' ' PHE . 7.9 m -97.98 128.03 44.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.54 HD12 ' CE1' ' A' ' 61' ' ' PHE . 11.0 mt -95.09 140.77 29.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -94.14 119.9 33.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.416 HG11 HD11 ' A' ' 32' ' ' LEU . 41.3 t -110.74 120.57 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -126.69 147.88 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.85 29.41 6.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.648 HD21 HD12 ' A' ' 79' ' ' ILE . 84.9 mt -91.22 165.43 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.321 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 27' ' ' THR . 17.0 t -88.43 140.69 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -42.6 -23.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' THR . 81.2 m-20 -89.05 -33.86 16.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.555 HG21 HD22 ' A' ' 23' ' ' LEU . 22.5 m -34.31 121.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' HG22 ' A' ' 31' ' ' THR . 33.1 p -106.43 157.89 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.495 ' N ' HD12 ' A' ' 44' ' ' ILE . 9.1 mt-10 -56.89 -25.4 56.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -64.96 -49.07 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 28' ' ' THR . 3.7 t -77.23 -24.15 51.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.132 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.521 HD13 HD11 ' A' ' 23' ' ' LEU . 58.5 tp -76.69 -33.51 58.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 12.7 tttm -72.7 -60.04 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' PHE . 8.4 mm-40 -48.61 -45.69 38.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' GLU . 18.2 m -36.4 -32.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.608 ' CE1' HG21 ' A' ' 59' ' ' VAL . 18.8 m-85 -106.93 100.99 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.74 98.62 0.93 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.11 -35.43 1.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.1 p -51.06 168.74 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.5 m -117.28 -28.24 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -154.51 160.7 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -141.33 146.22 36.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.3 mmt-85 -131.91 151.59 51.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 29' ' ' GLU . 63.9 mt -134.07 132.37 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.9 HG21 ' CE2' ' A' ' 56' ' ' PHE . 5.3 m -82.38 157.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 53' ' ' SER . 49.2 p -141.54 170.47 15.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 49' ' ' GLU . 30.2 t0 -71.87 152.62 42.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -90.99 -3.53 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.402 ' H ' ' CG ' ' A' ' 47' ' ' ASP . 16.3 tp10 -104.37 -58.2 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.9 p -90.17 -34.91 15.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.9 22.79 40.93 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 p -98.99 152.09 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.486 ' HA ' HG22 ' A' ' 46' ' ' THR . 5.9 t -55.73 117.21 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 4.4 mtpm? -64.07 -43.83 94.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.25 32.02 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.9 ' CE2' HG21 ' A' ' 45' ' ' VAL . 29.9 p90 -172.88 154.51 2.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.65 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.11 -135.26 2.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 27.1 m-85 -156.81 149.2 23.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.741 HG12 ' CE1' ' A' ' 61' ' ' PHE . 95.4 t -116.02 113.74 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -80.47 135.1 36.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.741 ' CE1' HG12 ' A' ' 59' ' ' VAL . 70.3 m-85 -127.92 145.32 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -47.79 -36.31 11.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' GLU . 19.4 m -161.99 148.21 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' SER . 17.3 mt-10 -36.12 -53.28 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -44.04 -62.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.64 -41.35 42.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.06 -50.1 75.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -54.66 -56.71 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.09 -28.1 6.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.9 -25.67 26.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.536 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 22.7 ttpp -69.38 -49.79 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -57.51 -35.69 70.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.88 -53.78 35.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.409 ' CB ' HD11 ' A' ' 86' ' ' LEU . 73.6 mmm -87.38 6.34 34.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 71' ' ' LYS . 20.2 pt-20 -39.53 -50.12 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -117.22 28.54 8.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.07 162.82 40.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.76 120.4 17.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.648 HD12 HD21 ' A' ' 23' ' ' LEU . 20.5 mt -88.36 137.15 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t0 51.5 38.14 21.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.05 26.51 74.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.505 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -132.23 129.88 40.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -65.24 129.35 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.7 m -117.84 143.87 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.5 m -108.96 123.36 48.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.409 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.0 mt -99.17 127.6 45.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.1 145.23 32.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.536 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 64.2 m95 -65.64 103.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -41.51 103.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -139.67 132.84 29.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.813 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.28 135.46 1.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 p -134.81 167.45 20.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.809 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 p -136.29 140.63 43.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.82 -160.65 29.42 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -20.03 35.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 72.68 33.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.63 171.27 14.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -66.52 -50.64 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.7 p -108.09 167.2 10.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -57.83 150.76 46.78 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.548 0.689 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 179.12 3.93 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.427 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 1.8 t -108.54 155.66 20.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -82.54 -32.35 28.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 5.0 m -98.3 129.65 45.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' CD2' ' HD3' ' A' ' 71' ' ' LYS . 12.5 mt -97.28 129.84 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -84.88 118.95 24.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.407 HG11 HD11 ' A' ' 32' ' ' LEU . 59.6 t -108.49 112.72 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -120.6 139.77 52.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.54 36.12 2.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.912 HD21 HD12 ' A' ' 79' ' ' ILE . 82.7 mt -96.25 176.48 6.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 27' ' ' THR . 4.5 t -98.55 140.68 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -42.97 -23.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -90.99 -32.46 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.649 HG21 HD22 ' A' ' 23' ' ' LEU . 55.3 m -38.83 115.32 0.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.565 ' O ' HG22 ' A' ' 31' ' ' THR . 69.1 p -100.81 155.92 17.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.797 ' N ' HD12 ' A' ' 44' ' ' ILE . 23.0 mt-10 -50.68 -26.06 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -53.8 47.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.647 HG21 ' OD2' ' A' ' 80' ' ' ASP . 7.6 t -68.88 -24.48 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.542 HD13 HD11 ' A' ' 23' ' ' LEU . 48.3 tp -75.63 -38.2 59.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -66.07 -61.8 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' SER . 4.1 mm-40 -48.69 -44.4 37.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' GLU . 19.5 m -35.78 -37.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.704 ' CE1' HG21 ' A' ' 59' ' ' VAL . 29.9 m-85 -106.11 103.17 12.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.2 97.92 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.7 -35.71 1.76 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.449 ' HB3' ' CE2' ' A' ' 61' ' ' PHE . 78.6 p -49.44 165.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.2 m -109.25 -31.55 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -154.01 168.98 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.37 149.91 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -135.39 148.98 49.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.797 HD12 ' N ' ' A' ' 29' ' ' GLU . 53.4 mt -135.88 135.86 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.808 HG21 ' CE2' ' A' ' 56' ' ' PHE . 4.6 m -80.16 152.92 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.9 p -138.24 146.21 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -73.78 152.7 40.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -94.31 -19.49 20.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -85.79 -54.09 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.5 p -87.45 -36.77 17.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.199 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.32 30.16 38.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -124.1 153.51 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 t -49.82 112.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.594 ' HB2' HG23 ' A' ' 45' ' ' VAL . 22.4 mmmt -52.01 -46.51 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.85 23.78 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.808 ' CE2' HG21 ' A' ' 45' ' ' VAL . 3.5 p90 -164.65 151.44 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.652 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.81 -143.86 3.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.652 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 8.3 m-85 -152.7 156.03 38.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.856 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.704 HG21 ' CE1' ' A' ' 36' ' ' PHE . 75.3 t -125.38 110.47 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.52 137.03 39.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.661 ' CE1' HG12 ' A' ' 59' ' ' VAL . 86.2 m-85 -127.26 157.34 40.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -58.09 -36.19 72.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.6 m -158.93 156.92 30.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.427 ' HG2' ' C ' ' A' ' 15' ' ' SER . 16.5 mt-10 -47.39 -40.55 17.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -53.28 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.82 -42.11 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.74 -53.89 53.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -54.53 -57.88 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.4 -28.84 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.71 -27.94 26.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 19.4 ttpp -66.37 -46.9 75.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 12.3 mt-10 -59.97 -36.82 77.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.44 -52.52 57.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 50.5 mmm -87.75 6.87 32.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 13.7 pt-20 -39.72 -54.0 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -111.37 26.2 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.73 157.46 34.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.425 ' HB2' ' C ' ' A' ' 82' ' ' ASN . 9.6 pt-20 -130.72 116.25 17.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.912 HD12 HD21 ' A' ' 23' ' ' LEU . 33.6 mt -82.68 138.12 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.647 ' OD2' HG21 ' A' ' 31' ' ' THR . 2.1 m-20 50.17 45.33 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.21 27.69 67.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.524 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.425 ' C ' ' HB2' ' A' ' 78' ' ' GLU . 67.7 m-20 -134.15 132.23 39.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -65.86 131.25 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.415 ' CG1' HD23 ' A' ' 23' ' ' LEU . 31.0 m -121.13 146.65 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.8 m -112.13 119.29 37.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 71' ' ' LYS . 1.8 mt -94.12 125.97 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -142.84 144.97 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.543 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 74.5 m95 -64.71 117.18 7.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.71 91.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 28.1 tttm -132.56 139.71 35.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 90' ' ' LYS . 54.0 Cg_endo -69.73 -171.41 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -134.86 -55.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 133.05 -162.1 24.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -78.05 3.19 15.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.72 -71.34 0.17 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -168.88 69.26 0.16 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.2 m -121.14 129.35 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.16 -88.86 0.15 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.47 5.1 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 m -156.22 175.4 14.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.6 t -104.01 -58.69 1.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.466 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -80.38 -54.54 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -73.13 108.22 5.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.28 70.6 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.444 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 p -87.82 159.45 18.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -120.8 163.14 18.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.29 142.59 5.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.88 7.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.226 . . . . 0.0 112.356 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -116.39 42.79 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.59 -46.64 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.086 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -110.29 -45.48 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.4 p -155.06 142.4 19.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -59.44 145.52 81.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -172.98 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.8 m -145.3 136.28 24.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -58.23 -33.94 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.477 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 7.6 m -101.72 126.4 48.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.803 HD12 ' CE2' ' A' ' 61' ' ' PHE . 15.4 mt -97.01 131.5 43.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -84.26 119.41 25.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.449 HG11 HD11 ' A' ' 32' ' ' LEU . 66.2 t -109.96 112.43 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -119.7 147.36 44.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.71 42.42 2.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.606 HD21 HD12 ' A' ' 79' ' ' ILE . 58.6 mt -105.45 169.15 8.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' THR . 19.0 t -88.54 140.59 29.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -43.06 -23.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 27' ' ' THR . 38.2 m-20 -88.93 -33.45 17.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.538 HG21 HD22 ' A' ' 23' ' ' LEU . 95.4 m -34.86 114.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.434 ' O ' HG22 ' A' ' 31' ' ' THR . 67.5 p -102.61 153.03 20.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -49.26 -27.78 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.56 -51.65 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.675 HG21 ' OD2' ' A' ' 80' ' ' ASP . 2.4 t -74.47 -16.79 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 HG12 ' A' ' 44' ' ' ILE . 45.9 tp -81.05 -36.84 29.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -71.58 -52.59 17.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 36' ' ' PHE . 22.0 mt-10 -54.89 -43.42 73.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -38.51 -30.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.815 ' CE1' HG21 ' A' ' 59' ' ' VAL . 17.9 m-85 -109.6 106.15 15.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.37 83.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.2 -38.15 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.9 p -47.57 161.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -111.29 -35.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -145.7 159.2 43.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.17 150.82 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -135.84 152.44 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.469 HG12 HD22 ' A' ' 32' ' ' LEU . 30.2 mt -136.11 130.12 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.856 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 2.2 m -72.12 153.35 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 p -141.97 152.99 43.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.63 158.27 35.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -93.94 -15.0 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -100.31 -52.01 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.2 p -84.77 -28.37 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.69 42.72 95.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -132.26 156.98 45.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.364 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -58.56 103.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 5.4 mtpm? -47.06 -46.41 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.15 31.02 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.856 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 18.0 p90 -171.96 153.65 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.65 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.09 -140.12 2.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 10.9 m-85 -152.06 158.92 43.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.815 HG21 ' CE1' ' A' ' 36' ' ' PHE . 46.2 t -128.59 117.09 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 61' ' ' PHE . 23.0 t0 -78.6 143.25 36.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.803 ' CE2' HD12 ' A' ' 18' ' ' LEU . 65.9 m-85 -137.23 145.0 43.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -48.36 -37.76 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.0 m -161.43 153.21 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -43.68 -44.74 6.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -49.42 -62.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -53.24 -40.76 64.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.566 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -59.22 -44.53 92.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -60.66 -54.89 39.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -31.71 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.77 -29.9 32.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 19.8 ttpp -65.12 -46.69 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 75' ' ' GLU . 9.2 mt-10 -61.39 -39.33 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.55 -52.32 64.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.5 mmm -89.04 8.63 28.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 72' ' ' GLU . 16.9 pt-20 -40.68 -52.98 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 75' ' ' GLU . 2.9 p30 -111.33 25.68 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.28 161.84 43.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -134.31 116.36 15.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.606 HD12 HD21 ' A' ' 23' ' ' LEU . 19.0 mt -85.11 134.5 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.07 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.675 ' OD2' HG21 ' A' ' 31' ' ' THR . 1.7 m-20 55.67 38.6 30.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.6 20.32 71.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -126.99 133.98 50.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -66.33 128.06 34.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG1' HD23 ' A' ' 23' ' ' LEU . 29.2 m -116.19 147.91 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.4 m -113.85 116.25 29.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mt -91.58 125.39 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.3 141.71 32.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.519 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 52.8 m95 -61.59 106.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -34.3 144.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.9 mmtm -112.8 145.98 34.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 132.01 22.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.727 2.285 . . . . 0.0 112.35 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -69.12 107.7 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.68 149.35 3.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -156.13 176.55 12.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.71 -167.91 21.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.13 47.92 0.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.9 p -50.28 116.2 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.77 82.12 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 172.1 13.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 87.7 p -64.08 121.73 14.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.7 p -174.85 168.57 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.482 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -81.29 -52.41 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -102.64 -54.53 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.56 -127.13 2.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -103.97 159.62 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.853 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 p -97.25 -46.12 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.22 -157.43 24.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 150.92 68.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -80.97 164.7 22.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.22 -46.85 26.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -68.04 -46.99 69.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 t -101.91 132.72 47.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -104.12 143.0 25.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.409 ' HG2' ' CD ' ' A' ' 64' ' ' GLU . 53.1 Cg_endo -69.77 -168.74 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.349 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.44 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 2.2 m -138.35 125.22 21.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -56.07 -33.27 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.485 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 11.9 m -99.59 129.96 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.58 HD12 ' CE2' ' A' ' 61' ' ' PHE . 12.4 mt -101.04 134.42 44.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -86.35 119.81 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.625 HG21 HD11 ' A' ' 32' ' ' LEU . 62.9 t -108.56 118.91 57.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -125.11 152.06 44.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.54 31.05 7.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.445 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.813 HD22 HG21 ' A' ' 27' ' ' THR . 87.4 mt -90.32 177.14 6.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.323 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 27' ' ' THR . 33.2 t -102.48 140.78 36.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -42.36 -23.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 24' ' ' SER . 14.1 m-20 -94.23 -31.07 14.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.813 HG21 HD22 ' A' ' 23' ' ' LEU . 53.4 m -39.92 110.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.626 ' O ' HG22 ' A' ' 31' ' ' THR . 58.9 p -92.33 158.69 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.48 ' HG2' ' N ' ' A' ' 44' ' ' ILE . 22.0 mt-10 -55.44 -27.83 50.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -60.46 -49.34 77.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 28' ' ' THR . 5.2 t -72.63 -20.57 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.625 HD11 HG21 ' A' ' 20' ' ' VAL . 51.4 tp -76.54 -39.51 52.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 13.4 tttt -69.12 -56.97 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 36' ' ' PHE . 7.1 mm-40 -49.88 -46.7 51.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' GLU . 21.3 m -35.27 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.917 ' CE1' HG21 ' A' ' 59' ' ' VAL . 19.2 m-85 -106.78 112.68 25.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -74.27 93.63 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.24 -38.39 1.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -42.95 164.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.34 -37.11 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -155.02 171.08 20.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -146.82 157.67 43.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -141.59 148.99 40.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.48 ' N ' ' HG2' ' A' ' 29' ' ' GLU . 23.3 mt -130.62 134.67 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.555 HG21 ' CE2' ' A' ' 56' ' ' PHE . 1.4 m -79.69 156.35 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.7 p -140.31 154.59 46.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -75.17 164.41 26.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -94.72 -31.21 13.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.64 -58.43 2.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.9 p -77.14 -32.27 56.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.1 45.43 82.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 t -138.15 162.43 34.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -53.56 108.01 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 29.6 mtmt -53.73 -40.03 65.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.47 27.77 0.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.503 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.555 ' CE2' HG21 ' A' ' 45' ' ' VAL . 12.9 p90 -173.7 155.31 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.634 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.83 -132.47 1.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 38.4 m-85 -160.73 141.65 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.917 HG21 ' CE1' ' A' ' 36' ' ' PHE . 48.1 t -109.01 111.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.64 133.82 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.58 ' CE2' HD12 ' A' ' 18' ' ' LEU . 40.2 m-85 -121.64 160.39 24.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.46 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -68.07 -24.71 65.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 m -162.08 164.33 28.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' CD ' ' HG2' ' A' ' 14' ' ' PRO . 21.1 mt-10 -64.74 -42.03 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.0 -52.94 63.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.6 -37.61 81.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.537 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -61.96 -35.9 79.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -69.92 -55.01 10.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.23 -27.85 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.88 -21.57 31.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.518 ' HB3' ' HZ3' ' A' ' 71' ' ' LYS . 1.1 ttpm? -73.79 -43.92 57.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.83 -31.2 70.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.4 -44.69 57.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.609 ' CB ' HD11 ' A' ' 86' ' ' LEU . 43.9 mmm -96.19 17.1 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.1 pt-20 -51.67 -50.4 60.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.437 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 22.2 p-10 -112.84 16.89 19.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.3 162.87 53.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -135.41 117.54 15.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.622 HD12 HD21 ' A' ' 23' ' ' LEU . 11.5 mt -85.4 137.67 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 48.69 49.52 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.94 26.81 61.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -132.8 132.53 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -68.62 131.67 45.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.9 m -122.47 154.92 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 100.0 m -123.21 117.93 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.679 HD13 ' HE2' ' A' ' 36' ' ' PHE . 1.8 mt -89.68 126.88 35.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -141.91 135.15 29.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.451 ' O ' ' C ' ' A' ' 89' ' ' ALA . 67.5 m95 -57.56 102.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -33.92 105.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 6.9 ttmt -109.94 139.2 21.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 90' ' ' LYS . 53.9 Cg_endo -69.72 120.65 7.41 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -106.28 117.6 34.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.22 96.81 2.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.9 138.81 24.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -76.62 -153.4 5.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.18 101.32 0.38 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.536 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 98' ' ' GLY . 36.1 t -71.02 84.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.826 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' SER . . . 36.1 61.74 0.78 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 97.26 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.747 2.298 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.3 t -123.6 129.78 51.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.6 m -100.83 106.61 18.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 53.12 42.27 32.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 0.0 110.919 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -131.53 110.77 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.51 105.9 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -87.03 147.75 25.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -100.23 77.15 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.54 -156.64 25.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 138.67 38.45 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -86.74 100.86 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.72 164.06 26.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -79.25 -55.33 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.9 m -121.47 -42.94 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -144.92 148.08 37.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.99 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 4.7 t -121.52 146.43 46.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -73.01 -29.48 63.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.4 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 3.1 m -103.57 129.53 50.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.516 HD12 ' CE2' ' A' ' 61' ' ' PHE . 12.3 mt -95.73 136.91 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 75.5 t80 -90.1 118.13 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -107.81 115.07 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 23.8 pttt -123.43 143.08 50.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.94 38.2 2.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.671 HD11 HD13 ' A' ' 32' ' ' LEU . 80.1 mt -100.12 161.79 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' THR . 7.4 t -83.33 140.71 32.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -41.91 -24.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 27.8 m-20 -85.62 -36.29 20.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.567 HG21 HD22 ' A' ' 23' ' ' LEU . 93.5 m -35.6 120.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.9 p -108.57 158.69 17.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -56.03 -23.29 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -66.5 -53.04 39.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 t -70.4 -31.98 69.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.671 HD13 HD11 ' A' ' 23' ' ' LEU . 21.6 tp -67.53 -37.96 83.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 14.1 tttt -67.95 -53.76 23.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.92 -39.58 81.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -38.47 -34.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.832 ' CE1' HG21 ' A' ' 59' ' ' VAL . 28.3 m-85 -105.69 102.07 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.42 90.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.98 -36.84 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.429 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 60.3 p -46.29 162.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.38 -31.07 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -152.49 168.76 24.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -151.76 153.96 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -140.14 156.47 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.1 mt -136.22 129.81 47.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.033 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 8.9 m -73.65 151.98 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.7 p -140.17 156.06 46.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -77.77 153.88 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.811 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.21 -21.29 23.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -89.87 -58.16 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.2 p -77.55 -34.77 53.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.06 40.53 50.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 t -132.17 175.06 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -69.61 115.61 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.523 ' HB2' HG23 ' A' ' 45' ' ' VAL . 40.4 mttm -61.71 -48.13 82.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.77 33.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 1.033 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 39.3 p90 -174.42 151.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.886 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.95 -154.68 6.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.4 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 30.9 m-85 -138.91 142.53 38.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.832 HG21 ' CE1' ' A' ' 36' ' ' PHE . 51.8 t -112.69 111.71 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.69 140.27 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 59' ' ' VAL . 63.3 m-85 -133.37 144.99 49.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -45.46 -31.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.2 m -165.88 162.25 18.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -49.74 -41.71 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -54.29 -62.17 1.83 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -46.64 -43.72 17.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.46 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -58.58 -48.45 80.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -56.67 -51.74 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.09 -28.39 4.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.053 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.21 -29.21 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.637 ' HA ' HD12 ' A' ' 86' ' ' LEU . 22.3 ttpp -67.49 -45.57 75.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.85 -34.07 72.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.89 -58.15 3.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.542 ' CB ' HD11 ' A' ' 86' ' ' LEU . 63.8 mmm -77.09 6.31 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 15.5 pt-20 -43.53 -44.42 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 63.7 m-20 -119.44 20.84 12.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -75.0 162.76 53.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.64 117.8 13.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.863 0.363 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.526 HD12 HD21 ' A' ' 23' ' ' LEU . 16.5 mt -88.34 140.25 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.2 t0 52.66 41.04 31.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.49 23.11 68.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -130.93 134.96 47.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.388 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -65.93 136.06 55.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.7 m -123.63 146.73 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -115.2 117.56 30.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 71' ' ' LYS . 2.1 mt -93.27 121.19 34.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.38 137.48 40.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.485 ' NE1' ' HE2' ' A' ' 71' ' ' LYS . 66.6 m95 -57.75 118.0 4.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.21 97.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -84.03 152.4 62.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 135.32 30.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.648 2.232 . . . . 0.0 112.327 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -44.44 104.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.63 126.83 9.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -108.78 40.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.908 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.31 -77.22 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.537 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 45.48 -159.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.7 t -133.15 155.37 49.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.379 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.72 -171.83 22.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -14.89 36.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 m -45.89 157.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 t 66.92 42.21 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.445 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -96.85 148.29 23.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -95.31 -41.42 9.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.1 -129.03 1.01 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 p -126.75 142.43 51.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -56.11 -63.52 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.58 -176.11 19.6 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 2.89 3.15 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -84.54 -37.7 20.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ARG . . . -71.94 72.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' ALA . 56.2 mtp180 35.07 50.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 p -140.24 138.97 35.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.44 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 9.4 tt0 -82.41 141.42 45.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 13' ' ' GLN . 53.0 Cg_endo -69.79 171.72 13.98 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -106.36 152.41 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -83.81 -33.59 24.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 58' ' ' PHE . 14.5 m -98.43 124.3 43.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.663 HD11 ' O ' ' A' ' 67' ' ' ALA . 18.2 mt -92.48 144.04 25.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -97.31 114.24 25.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 32' ' ' LEU . 26.8 t -104.78 113.78 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -122.71 139.38 54.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.47 34.53 2.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.674 HD21 HD12 ' A' ' 79' ' ' ILE . 67.6 mt -97.12 170.24 9.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.347 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' THR . 21.4 t -89.61 140.71 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -44.14 -22.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 24' ' ' SER . 29.9 t70 -92.28 -30.8 15.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.672 HG21 HD22 ' A' ' 23' ' ' LEU . 97.2 m -38.88 116.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 31' ' ' THR . 55.6 p -98.37 162.95 12.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.597 ' N ' HD12 ' A' ' 44' ' ' ILE . 25.4 mt-10 -60.59 -22.68 63.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.96 -48.74 67.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.629 HG21 ' OD2' ' A' ' 80' ' ' ASP . 2.5 t -75.38 -20.71 58.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.598 HD13 HD11 ' A' ' 23' ' ' LEU . 53.8 tp -78.31 -36.27 46.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -71.43 -54.87 9.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' SER . 9.1 mm-40 -50.61 -44.3 57.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' GLU . 48.9 m -37.6 -36.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.86 ' CE1' HG21 ' A' ' 59' ' ' VAL . 17.7 m-85 -102.95 102.7 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -67.23 99.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.73 -36.23 2.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.556 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 48.4 p -44.04 167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.939 0.399 . . . . 0.0 110.848 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 41' ' ' ARG . 35.5 m -109.88 -39.59 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.402 ' N ' HG23 ' A' ' 40' ' ' VAL . 37.4 mmt180 -154.31 170.85 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.99 160.74 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -145.85 136.53 24.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.597 HD12 ' N ' ' A' ' 29' ' ' GLU . 70.4 mt -117.99 137.52 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.038 HG21 ' CE2' ' A' ' 56' ' ' PHE . 15.2 m -85.76 154.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.4 p -135.96 169.05 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.53 155.93 24.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -94.68 -14.04 25.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -99.11 -41.24 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.0 p -98.45 -20.79 16.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.09 29.33 74.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -120.2 162.29 19.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.9 m -64.6 117.38 7.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -61.84 -51.6 67.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.32 37.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 1.038 ' CE2' HG21 ' A' ' 45' ' ' VAL . 35.0 p90 -174.96 158.65 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.634 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -159.16 -133.24 1.48 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 37.7 m-85 -160.95 142.91 12.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.86 HG21 ' CE1' ' A' ' 36' ' ' PHE . 66.9 t -109.82 111.66 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.65 144.01 31.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 39' ' ' SER . 59.8 m-85 -131.78 172.27 12.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.453 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 1.7 p30 -84.63 -23.59 29.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' GLU . 67.5 m -164.67 135.12 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' SER . 30.8 mp0 -37.61 -42.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 7.7 pt-20 -46.53 -50.11 17.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.509 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 9.8 m-20 -68.8 -38.1 79.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.663 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -62.2 -34.66 76.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -75.67 -55.27 5.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.69 -35.42 55.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.34 -22.44 51.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 25.1 ttpp -73.28 -50.52 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 75' ' ' GLU . 17.9 mt-10 -54.92 -28.19 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.56 -45.43 25.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.652 ' CB ' HD11 ' A' ' 86' ' ' LEU . 48.9 mmm -93.31 12.43 24.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HG3' ' CG ' ' A' ' 76' ' ' ASP . 12.6 pt-20 -51.04 -43.58 60.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.404 ' CG ' ' HG3' ' A' ' 75' ' ' GLU . 36.8 m-20 -118.06 22.84 11.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.47 159.51 40.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -131.53 119.22 21.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.674 HD12 HD21 ' A' ' 23' ' ' LEU . 9.8 mt -87.61 133.88 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.629 ' OD2' HG21 ' A' ' 31' ' ' THR . 13.9 m-20 55.58 41.71 30.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.05 18.61 67.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.46 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -125.83 131.31 52.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -65.52 132.58 49.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.5 m -121.53 147.55 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.2 m -115.72 112.55 22.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.652 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.4 mt -88.06 126.25 35.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -139.45 141.34 37.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.535 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 61.2 m95 -60.52 111.05 1.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.15 162.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -74.84 143.89 78.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 99.4 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.397 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -52.27 126.03 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 164.75 95.63 0.1 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -168.41 153.52 6.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.72 161.64 20.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 163.27 -156.64 28.5 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.7 m -97.05 94.65 7.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.915 0.388 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.3 85.94 0.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -179.22 2.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.8 t -147.77 150.23 33.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -151.62 148.45 27.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -90.98 133.19 35.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 p -106.38 163.7 12.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.16 -163.28 10.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.2 p -132.74 152.69 51.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -115.98 163.84 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.77 145.63 4.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.51 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 -24.36 29.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.725 2.284 . . . . 0.0 112.294 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -46.96 -67.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.86 39.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -154.23 144.6 22.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' GLN . 1.3 t -43.63 165.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.468 ' NE2' ' OE2' ' A' ' 64' ' ' GLU . 15.4 tt0 -37.28 142.3 0.4 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.599 0.714 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 13' ' ' GLN . 53.5 Cg_endo -69.82 -166.07 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.679 2.252 . . . . 0.0 112.316 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.416 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 3.0 m -129.54 146.21 51.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -69.76 -31.29 69.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.479 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 4.1 m -101.69 121.61 42.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.421 HD21 ' CZ3' ' A' ' 88' ' ' TRP . 21.2 mt -93.59 132.24 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -84.45 121.33 27.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.558 HG11 HD11 ' A' ' 32' ' ' LEU . 52.2 t -110.3 114.08 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -122.2 142.65 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.33 30.5 4.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 27' ' ' THR . 83.9 mt -90.81 174.77 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.7 t -97.79 140.67 31.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -43.21 -23.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.9 m-20 -93.04 -30.78 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.778 HG21 HD22 ' A' ' 23' ' ' LEU . 55.5 m -41.44 112.01 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.443 ' C ' HD12 ' A' ' 44' ' ' ILE . 52.3 p -94.16 164.77 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.487 ' N ' HD12 ' A' ' 44' ' ' ILE . 10.9 mt-10 -62.7 -21.51 65.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.68 -49.64 57.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 t -76.05 -16.75 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.558 HD11 HG11 ' A' ' 20' ' ' VAL . 61.9 tp -82.67 -35.61 26.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.951 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 13.0 tttm -70.22 -57.27 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -47.81 -43.78 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 m -40.4 -32.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.833 ' CE1' HG21 ' A' ' 59' ' ' VAL . 26.9 m-85 -106.55 103.3 12.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.03 109.28 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.81 -42.6 1.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.4 p -41.7 159.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.739 HG23 ' HG2' ' A' ' 41' ' ' ARG . 6.1 m -101.63 -34.06 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.739 ' HG2' HG23 ' A' ' 40' ' ' VAL . 11.5 ptt180 -156.86 167.07 31.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -142.98 153.04 42.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -137.46 152.08 49.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.487 HD12 ' N ' ' A' ' 29' ' ' GLU . 19.1 mt -134.93 134.77 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.595 HG21 ' CE2' ' A' ' 56' ' ' PHE . 1.8 m -76.44 156.1 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.0 p -140.03 152.07 45.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.77 152.76 39.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -92.72 -9.4 40.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -102.18 -53.13 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.9 p -88.14 -24.49 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.94 33.82 80.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -123.86 156.08 36.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 m -56.24 107.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 45' ' ' VAL . 49.7 mtpt -46.43 -45.09 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.19 28.49 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.595 ' CE2' HG21 ' A' ' 45' ' ' VAL . 27.9 p90 -171.03 154.88 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.549 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.54 -145.03 4.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.549 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 16.4 m-85 -150.12 139.63 21.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.833 HG21 ' CE1' ' A' ' 36' ' ' PHE . 78.1 t -112.3 117.15 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 56.3 m-20 -80.91 150.41 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.521 ' CE1' HG12 ' A' ' 59' ' ' VAL . 71.4 m-85 -138.72 145.84 40.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -51.59 -29.34 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.5 m -163.68 151.38 12.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.468 ' OE2' ' NE2' ' A' ' 13' ' ' GLN . 19.2 mt-10 -43.38 -46.04 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -51.55 -60.16 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.9 -44.74 19.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -59.38 -48.0 83.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -56.58 -49.47 74.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -26.15 27.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.49 -22.0 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.644 ' HA ' HD12 ' A' ' 86' ' ' LEU . 17.9 ttpp -77.27 -40.39 44.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.02 -29.35 70.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.26 -48.11 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.589 ' CB ' HD11 ' A' ' 86' ' ' LEU . 61.5 mmm -86.17 10.06 15.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -50.56 -42.17 55.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -119.65 15.12 12.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.11 161.06 54.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -133.92 118.42 17.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.604 HD12 HD21 ' A' ' 23' ' ' LEU . 9.0 mt -86.94 136.87 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 49.61 49.48 19.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.26 26.81 59.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.449 ' ND2' ' HB2' ' A' ' 24' ' ' SER . 54.1 m-20 -132.97 130.82 40.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -67.0 130.76 44.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.2 m -119.35 151.27 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.4 m -119.71 119.49 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 71' ' ' LYS . 1.5 mt -93.42 127.23 38.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.23 133.3 24.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.482 ' NE1' ' HE2' ' A' ' 71' ' ' LYS . 70.1 m95 -54.85 121.52 8.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.1 102.7 2.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' CD ' ' HD2' ' A' ' 91' ' ' PRO . 11.1 tppt? -64.67 137.15 97.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.581 0.705 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HD2' ' CD ' ' A' ' 90' ' ' LYS . 53.6 Cg_endo -69.79 110.93 2.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.61 2.207 . . . . 0.0 112.353 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.05 175.48 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.36 -161.0 30.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -73.55 136.75 44.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.36 -119.29 2.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.15 45.68 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 85.9 p -162.84 170.62 17.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.74 163.09 30.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 178.38 4.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.647 2.232 . . . . 0.0 112.314 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.6 p -108.21 -45.19 3.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -47.15 134.59 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -96.62 -49.36 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 110.815 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -74.69 121.11 21.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.63 -101.24 0.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -142.44 133.66 26.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 p -63.66 152.9 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.93 166.67 52.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -23.01 31.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.262 . . . . 0.0 112.405 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -83.84 38.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.02 175.01 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -43.25 -50.7 6.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.3 m -81.11 100.33 8.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -62.62 152.09 82.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -173.38 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.533 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 8.9 t -139.08 152.63 47.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -78.4 -34.27 48.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.428 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 18.4 m -98.34 125.95 43.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' A' ' 61' ' ' PHE . 11.2 mt -97.22 137.26 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 17.2 t80 -88.55 119.72 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 32' ' ' LEU . 46.3 t -110.75 108.9 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -119.74 138.83 53.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.43 37.26 1.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.71 HD22 HG21 ' A' ' 27' ' ' THR . 35.3 mt -99.93 175.79 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.8 t -94.88 140.62 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -43.24 -23.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' SER . 25.5 t0 -90.93 -32.15 16.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.71 HG21 HD22 ' A' ' 23' ' ' LEU . 59.6 m -38.35 117.08 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 31' ' ' THR . 71.0 p -100.45 157.92 16.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.583 ' N ' HD12 ' A' ' 44' ' ' ILE . 38.9 mt-10 -54.06 -27.65 33.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.37 -52.96 62.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 28' ' ' THR . 1.7 t -71.96 -15.71 62.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.573 HD11 HG11 ' A' ' 20' ' ' VAL . 50.6 tp -83.25 -35.74 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 12.1 tttt -73.41 -54.89 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' SER . 23.2 mm-40 -53.67 -45.47 70.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' GLU . 20.2 m -35.04 -36.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.951 ' CE1' HG21 ' A' ' 59' ' ' VAL . 18.8 m-85 -101.12 115.47 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -75.43 86.12 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.61 -39.99 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.443 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 59.7 p -43.45 159.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.52 -28.69 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -155.92 170.51 21.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -147.92 153.04 38.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -139.47 150.47 45.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.583 HD12 ' N ' ' A' ' 29' ' ' GLU . 88.8 mt -132.53 140.2 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.972 HG21 ' CE2' ' A' ' 56' ' ' PHE . 33.9 m -83.97 154.79 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.7 p -139.71 156.21 46.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -77.74 159.24 29.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -93.58 -23.16 18.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.27 -57.99 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.3 p -77.83 -33.12 52.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.29 43.79 54.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -137.25 163.3 31.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.0 110.845 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.9 m -65.31 109.21 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -52.11 -51.7 56.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.63 35.11 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.972 ' CE2' HG21 ' A' ' 45' ' ' VAL . 29.5 p90 -172.31 154.64 3.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.64 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.56 -135.98 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.538 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 28.3 m-85 -158.28 142.39 15.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.951 HG21 ' CE1' ' A' ' 36' ' ' PHE . 58.1 t -108.74 113.11 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.38 133.17 35.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.533 ' CE1' HD12 ' A' ' 18' ' ' LEU . 73.4 m-85 -121.06 165.05 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.468 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -70.0 -31.87 69.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.5 m -156.91 159.96 38.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -57.58 -44.23 85.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.29 -57.83 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.57 -46.26 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -56.28 -42.15 77.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -63.05 -53.53 52.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.34 -26.44 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.11 -24.78 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.467 ' NZ ' ' CZ2' ' A' ' 88' ' ' TRP . 4.8 ttpm? -68.65 -46.52 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -56.91 -35.8 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.04 -46.11 62.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.618 ' CB ' HD11 ' A' ' 86' ' ' LEU . 60.7 mmm -95.05 19.24 10.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.7 pt-20 -54.26 -51.32 64.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 3.1 p30 -112.91 19.07 17.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.92 161.85 54.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -133.95 118.48 17.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.346 . . . . 0.0 110.944 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.674 HD12 HD21 ' A' ' 23' ' ' LEU . 19.1 mt -88.62 138.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.4 t0 51.98 43.76 30.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.34 23.61 66.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -130.89 134.01 46.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -68.11 128.14 35.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.413 ' CG1' HD23 ' A' ' 23' ' ' LEU . 27.7 m -116.6 149.49 18.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.4 m -118.44 116.57 26.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.651 HD13 ' HE2' ' A' ' 36' ' ' PHE . 1.5 mt -89.18 125.25 34.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -140.66 134.99 31.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.533 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 66.0 m95 -59.12 129.6 42.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.74 130.48 35.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 142.82 98.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 161.41 46.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -90.47 -53.7 4.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 133.74 147.7 5.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -106.26 41.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -164.47 -153.9 7.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.454 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.26 57.09 1.93 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 m -58.29 175.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.925 0.393 . . . . 0.0 110.823 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.34 77.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 161.16 47.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.4 p -54.74 124.9 17.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.7 p -77.05 126.96 31.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p -133.31 159.98 38.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p -136.12 157.74 46.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.42 -151.35 19.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -92.87 116.07 28.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 110.908 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -74.77 157.27 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.21 -160.04 25.24 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 104.15 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -55.58 166.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.45 -42.88 34.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -63.98 -39.37 93.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.1 m -109.61 91.37 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 7.1 tt0 -72.15 140.34 82.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.553 0.692 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 13' ' ' GLN . 53.2 Cg_endo -69.77 176.59 6.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.311 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.425 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 2.4 m -139.59 158.65 43.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -80.7 -38.06 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' HB3' ' A' ' 58' ' ' PHE . 4.3 m -99.22 125.32 44.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.75 HD12 ' CE2' ' A' ' 61' ' ' PHE . 11.2 mt -91.88 145.4 24.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -97.87 116.68 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 t -107.67 117.68 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.48 ' CG ' ' HB ' ' A' ' 85' ' ' THR . 2.5 ptmm? -122.44 147.64 46.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.47 46.75 2.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.746 HD13 HG21 ' A' ' 27' ' ' THR . 95.7 mt -108.27 158.2 17.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 27' ' ' THR . 18.8 t -78.77 137.49 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.407 ' CD ' ' H ' ' A' ' 25' ' ' GLU . 2.0 mp0 -41.23 -27.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 15.3 m-20 -83.4 -36.3 24.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.746 HG21 HD13 ' A' ' 23' ' ' LEU . 3.4 m -34.42 121.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.081 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.44 ' C ' ' CD1' ' A' ' 44' ' ' ILE . 71.0 p -107.55 163.95 12.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.433 ' N ' HD12 ' A' ' 44' ' ' ILE . 21.8 mt-10 -59.17 -24.49 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -66.31 -51.75 54.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 t -73.65 -18.36 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.618 HD13 HD11 ' A' ' 23' ' ' LEU . 43.5 tp -84.98 -32.06 23.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 11.0 tttt -73.14 -52.9 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 36' ' ' PHE . 63.9 mt-10 -57.75 -40.83 80.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 m -38.28 -29.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.966 ' CE1' HG21 ' A' ' 59' ' ' VAL . 21.6 m-85 -107.23 111.46 23.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.51 79.48 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.88 -33.63 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.5 p -47.56 164.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -114.44 -30.18 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -152.46 165.98 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.488 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -146.97 151.9 37.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -142.96 147.05 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.44 ' CD1' ' C ' ' A' ' 28' ' ' THR . 68.3 mt -127.95 134.64 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.968 HG21 ' CE2' ' A' ' 56' ' ' PHE . 18.0 m -79.13 152.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.1 p -136.28 156.7 48.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -77.58 150.49 34.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -7.53 54.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -102.74 -50.98 3.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.8 p -89.81 -20.62 23.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.36 35.12 91.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -127.68 163.6 23.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.9 m -66.01 110.47 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 88.1 mttt -51.35 -54.21 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.31 33.56 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.968 ' CE2' HG21 ' A' ' 45' ' ' VAL . 21.8 p90 -171.11 158.3 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.642 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.59 -142.83 3.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.8 m-85 -156.01 139.96 16.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.966 HG21 ' CE1' ' A' ' 36' ' ' PHE . 41.2 t -110.11 120.98 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.82 148.45 31.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.75 ' CE2' HD12 ' A' ' 18' ' ' LEU . 71.0 m-85 -138.41 147.66 43.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -54.24 -27.97 38.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.7 m -167.74 159.53 11.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HG2' ' C ' ' A' ' 15' ' ' SER . 10.1 mt-10 -50.34 -47.1 56.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -50.04 -58.75 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -54.82 -38.72 67.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.443 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -60.08 -42.56 94.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -65.51 -55.38 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.43 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.054 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.21 -22.93 23.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.3 ttpp -75.81 -47.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -55.26 -30.83 60.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.45 -50.98 12.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.674 ' CB ' HD11 ' A' ' 86' ' ' LEU . 72.5 mmm -83.55 8.04 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -46.49 -39.17 10.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -124.82 26.42 7.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.9 159.51 36.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.478 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -133.82 117.23 16.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.445 HD12 HD21 ' A' ' 23' ' ' LEU . 13.0 mt -86.77 137.35 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 54.69 40.43 31.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.26 22.5 69.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.528 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -130.1 136.62 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -67.61 135.08 52.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 23.4 m -122.49 146.14 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.48 ' HB ' ' CG ' ' A' ' 21' ' ' LYS . 98.9 m -112.72 114.37 26.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.674 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.5 mt -91.37 129.08 37.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.29 141.97 29.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.543 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 71.3 m95 -61.49 127.55 32.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.4 98.33 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.07 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -102.97 143.76 27.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.578 0.704 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 140.92 43.65 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -103.51 138.48 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.64 -168.37 31.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -46.2 -58.72 3.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 179.69 -53.92 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.6 83.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 m -124.5 -179.6 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.961 0.41 . . . . 0.0 110.82 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 141.4 -81.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 0.26 5.88 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 101' ' ' SER . 10.9 m -53.09 136.37 35.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 100' ' ' SER . 87.3 p -35.84 -46.51 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -82.63 137.65 34.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -53.88 166.45 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.11 50.49 0.8 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -64.12 124.56 21.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 p -154.64 175.68 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.75 139.46 10.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.459 ' CD ' ' HE2' ' A' ' 68' ' ' LYS . 53.7 Cg_endo -69.74 87.98 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.41 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -38.35 147.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.88 -52.96 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -61.1 -34.48 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.8 m -101.48 85.09 2.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -60.12 148.24 78.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 169.13 19.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.9 t -121.55 162.36 20.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -79.2 -39.41 33.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.476 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 18.6 m -98.03 129.56 44.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.636 HD12 ' CE2' ' A' ' 61' ' ' PHE . 18.5 mt -96.84 140.06 31.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -93.47 116.65 29.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.0 t -105.93 116.08 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -122.09 148.15 45.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.06 29.98 6.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.667 HD22 HG21 ' A' ' 27' ' ' THR . 52.5 mt -93.17 170.99 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.5 t -94.73 140.66 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -42.35 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' SER . 1.2 m-20 -88.21 -34.53 17.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.667 HG21 HD22 ' A' ' 23' ' ' LEU . 55.4 m -39.31 112.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.8 p -96.72 157.34 15.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -53.62 -26.08 20.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -63.57 -55.53 23.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.1 t -70.02 -16.28 63.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.9 tp -82.63 -36.61 25.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 17.3 tttt -70.74 -56.53 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -51.05 -43.02 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -38.15 -36.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.624 ' CE1' HG21 ' A' ' 59' ' ' VAL . 16.2 m-85 -102.69 104.5 14.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.4 98.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.89 -41.8 1.28 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -44.38 160.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.8 m -103.21 -34.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -156.83 170.66 21.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -144.91 158.43 43.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -143.06 152.28 41.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.7 mt -133.84 143.57 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.635 HG21 ' CE2' ' A' ' 56' ' ' PHE . 1.8 m -89.23 158.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 53' ' ' SER . 80.1 p -141.73 157.97 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.9 151.29 37.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -90.64 -15.75 29.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -94.06 -56.58 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.0 p -82.44 -34.94 27.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.5 38.92 27.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.9 t -132.49 143.93 50.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.487 ' HA ' HG22 ' A' ' 46' ' ' THR . 6.7 m -48.06 110.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.548 ' HD2' ' CZ ' ' A' ' 56' ' ' PHE . 59.6 mttt -51.48 -46.69 63.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.46 29.12 0.39 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.635 ' CE2' HG21 ' A' ' 45' ' ' VAL . 1.8 p90 -164.93 149.32 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -151.25 -134.33 2.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.487 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 43.3 m-85 -158.63 158.54 34.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.924 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.624 HG21 ' CE1' ' A' ' 36' ' ' PHE . 40.3 t -124.17 112.08 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.22 126.71 31.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.636 ' CE2' HD12 ' A' ' 18' ' ' LEU . 49.2 m-85 -116.78 159.84 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -66.5 -32.07 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.6 m -162.8 150.79 13.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.781 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.426 ' HG2' ' C ' ' A' ' 15' ' ' SER . 18.0 mt-10 -42.36 -53.15 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.23 -62.64 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.4 -39.3 56.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.57 -51.52 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' HE2' ' CD ' ' A' ' 8' ' ' PRO . 22.0 ttmt -56.86 -54.82 42.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.11 -30.73 6.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.7 -26.9 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.7 ttpp -67.76 -47.88 67.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -59.27 -28.88 67.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.21 -53.94 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.444 ' CB ' HD11 ' A' ' 86' ' ' LEU . 61.2 mmm -86.27 10.68 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 25.9 pt-20 -45.79 -48.73 15.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 1.4 p30 -114.98 24.33 11.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.78 160.98 43.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -134.69 117.44 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.497 HD12 HD21 ' A' ' 23' ' ' LEU . 11.1 mt -86.86 138.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 t70 50.27 44.73 26.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.96 28.13 68.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -134.15 131.41 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.942 0.401 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -65.47 129.38 39.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.3 m -119.46 147.39 23.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 97.4 m -115.39 121.59 43.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.444 HD11 ' CB ' ' A' ' 74' ' ' MET . 1.5 mt -95.31 129.88 42.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -144.1 143.15 31.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.543 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 60.8 m95 -62.58 104.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -37.64 118.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.438 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 13.5 ttpp -98.46 138.53 20.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 90' ' ' LYS . 53.6 Cg_endo -69.79 176.95 6.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.24 . . . . 0.0 112.345 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 -0.87 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -111.0 130.66 9.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -72.14 -54.3 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.5 140.34 12.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -147.26 83.12 0.19 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.2 m -139.86 178.99 6.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.8 93.0 0.18 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.53 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -178.06 2.15 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.749 2.299 . . . . 0.0 112.303 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -132.94 170.37 15.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m 57.1 37.94 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -146.05 157.35 43.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -147.08 150.75 35.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.16 104.94 1.9 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -95.41 118.25 31.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 m 64.1 45.19 4.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.97 150.55 39.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 9' ' ' ASN . 53.8 Cg_endo -69.79 -28.97 24.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 8' ' ' PRO . 59.7 t-20 -34.83 -46.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' SER . . . -55.71 146.88 19.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -39.35 -27.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' ALA . 5.5 m -61.44 122.98 16.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -63.94 152.28 87.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -175.26 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.544 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.1 t -113.57 151.6 31.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' CG ' ' HG3' ' A' ' 64' ' ' GLU . 9.4 mtmp? -79.9 -31.5 40.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.486 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 28.3 m -97.98 131.06 44.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.518 HD12 ' CE2' ' A' ' 61' ' ' PHE . 22.1 mt -98.93 128.97 45.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 45.5 t80 -84.28 120.69 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.422 HG21 HD11 ' A' ' 32' ' ' LEU . 86.3 t -108.54 114.42 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 9.2 pttp -120.53 138.78 53.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.34 36.85 2.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.607 HD21 HD12 ' A' ' 79' ' ' ILE . 61.3 mt -96.59 174.24 6.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' THR . 6.0 t -97.87 140.87 31.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -42.05 -23.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.0 p-10 -90.32 -34.1 15.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.584 HG21 HD22 ' A' ' 23' ' ' LEU . 19.9 m -34.24 120.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.457 ' O ' HG22 ' A' ' 31' ' ' THR . 53.8 p -105.19 159.65 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' N ' HD12 ' A' ' 44' ' ' ILE . 45.6 mt-10 -57.98 -27.89 63.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -50.55 67.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 28' ' ' THR . 1.8 t -72.92 -17.37 61.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 79' ' ' ILE . 50.4 tp -83.21 -39.82 20.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 11.9 tttm -67.4 -56.27 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' PHE . 35.6 mm-40 -50.2 -45.66 53.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' GLU . 28.3 m -36.41 -31.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.916 ' CE1' HG21 ' A' ' 59' ' ' VAL . 11.7 m-85 -105.0 110.11 22.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.42 88.75 1.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.43 -40.9 0.96 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.546 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.6 p -43.73 165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m -111.35 -36.77 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -152.02 162.79 40.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.414 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -139.63 157.37 45.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -140.94 152.24 44.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 29' ' ' GLU . 86.4 mt -135.08 140.22 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.034 HG21 ' CE2' ' A' ' 56' ' ' PHE . 35.3 m -85.35 152.82 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.656 HG22 ' HA ' ' A' ' 53' ' ' SER . 72.7 p -138.89 155.98 47.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.429 ' CG ' ' HG2' ' A' ' 49' ' ' GLU . 28.5 t0 -71.91 158.33 36.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -94.68 -21.68 18.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HG2' ' CG ' ' A' ' 47' ' ' ASP . 8.5 pt-20 -86.19 -45.46 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 p -93.55 -31.68 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.71 37.17 52.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -130.78 165.77 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.884 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.656 ' HA ' HG22 ' A' ' 46' ' ' THR . 5.4 t -60.22 115.79 3.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 46' ' ' THR . 17.4 mtmm -60.49 -50.39 73.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.81 33.04 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 1.034 ' CE2' HG21 ' A' ' 45' ' ' VAL . 27.6 p90 -175.03 155.8 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.628 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -158.15 -137.67 2.32 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 20.1 m-85 -155.5 159.27 39.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.392 . . . . 0.0 110.845 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.916 HG21 ' CE1' ' A' ' 36' ' ' PHE . 71.5 t -124.4 115.15 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -77.98 142.16 38.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 59' ' ' VAL . 54.5 m-85 -134.87 152.04 51.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.584 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -57.02 -35.15 68.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.4 m -158.77 160.04 35.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' HG3' ' CG ' ' A' ' 16' ' ' LYS . 41.5 mt-10 -51.0 -46.6 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -51.2 -62.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.66 -36.57 36.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.2 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -55.26 -55.06 35.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.53 -29.66 37.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.29 -21.01 33.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.8 ttpp -73.1 -46.07 53.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.97 -31.67 70.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.26 -51.54 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.578 ' CB ' HD11 ' A' ' 86' ' ' LEU . 54.8 mmm -88.92 7.79 32.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 18.3 pt-20 -41.32 -52.41 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 36.3 m-20 -112.64 24.14 12.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.71 159.98 46.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -134.2 116.74 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.607 HD12 HD21 ' A' ' 23' ' ' LEU . 14.6 mt -84.01 135.48 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 t70 53.21 41.84 32.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.24 22.68 71.12 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -128.55 131.33 48.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -66.7 127.82 33.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.1 m -117.82 146.42 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.0 m -112.17 119.88 39.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.3 mt -94.1 128.81 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -143.47 144.53 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.545 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 64.2 m95 -63.19 130.19 43.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.63 84.42 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.478 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 11.8 tttp -168.29 140.63 2.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 90' ' ' LYS . 53.7 Cg_endo -69.74 169.13 19.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.345 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 169.84 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.93 135.8 4.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -138.77 177.4 7.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 76.05 176.49 41.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.53 65.66 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.3 m -90.13 145.12 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.409 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 155.56 75.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 99.56 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 0.0 112.339 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.4 m -115.24 96.06 5.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 t -168.92 161.46 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -122.81 176.38 6.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -111.95 100.73 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.45 172.64 24.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -148.48 116.88 6.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -141.28 131.25 24.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.1 -157.93 21.82 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.438 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 168.34 21.79 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -103.24 46.16 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.49 142.11 20.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 11' ' ' ARG . 8.4 mmp_? -54.75 -53.31 56.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.816 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.3 m -82.88 150.43 26.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -40.18 153.93 0.2 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -174.33 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.549 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.3 t -141.74 163.54 32.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -84.06 -32.58 24.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 58' ' ' PHE . 4.4 m -98.32 125.58 43.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.65 HD12 ' CE2' ' A' ' 61' ' ' PHE . 13.4 mt -94.45 127.4 40.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 23.3 t80 -84.16 121.98 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG11 HD11 ' A' ' 32' ' ' LEU . 35.6 t -111.78 115.96 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -120.17 141.78 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.19 41.07 2.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.772 HD13 HG21 ' A' ' 27' ' ' THR . 91.4 mt -101.08 165.55 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' THR . 7.4 t -86.2 140.78 29.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -45.41 -21.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 0.4 OUTLIER -92.81 -29.78 15.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.772 HG21 HD13 ' A' ' 23' ' ' LEU . 3.2 m -39.11 120.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' THR . 42.6 p -104.72 156.99 17.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.512 ' N ' HD12 ' A' ' 44' ' ' ILE . 17.7 mt-10 -55.49 -24.32 30.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -66.37 -51.73 54.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 28' ' ' THR . 2.4 t -73.09 -26.3 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.582 HD13 HD11 ' A' ' 23' ' ' LEU . 68.3 tp -72.67 -36.85 68.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 14.4 tttt -69.81 -65.11 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' SER . 29.2 mt-10 -41.09 -47.45 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' GLU . 34.6 m -34.69 -39.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.62 ' CE1' HG21 ' A' ' 59' ' ' VAL . 33.9 m-85 -99.99 105.85 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.7 98.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.09 -44.79 0.94 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.407 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 59.5 p -44.78 166.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.855 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.6 m -110.57 -30.67 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -156.57 171.49 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -149.57 153.51 37.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -136.05 147.95 48.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.512 HD12 ' N ' ' A' ' 29' ' ' GLU . 37.3 mt -128.7 138.92 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.566 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 1.7 m -84.77 154.59 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.414 HG22 ' HA ' ' A' ' 53' ' ' SER . 75.5 p -140.36 154.83 46.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -72.02 156.98 38.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -94.46 -20.65 19.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -57.92 2.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.3 p -81.26 -32.95 33.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.27 41.95 36.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -132.36 146.05 51.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.414 ' HA ' HG22 ' A' ' 46' ' ' THR . 2.7 t -47.38 106.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -46.94 -48.72 21.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.79 31.25 0.21 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 26.8 p90 -173.4 155.95 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.92 0.39 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.655 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.27 -131.98 1.52 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 41.5 m-85 -160.55 153.36 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.62 HG21 ' CE1' ' A' ' 36' ' ' PHE . 41.7 t -121.13 116.67 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.11 137.58 34.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.65 ' CE2' HD12 ' A' ' 18' ' ' LEU . 74.1 m-85 -129.3 157.51 41.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.513 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -59.3 -31.04 68.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.7 m -167.88 157.63 10.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' HG2' ' C ' ' A' ' 15' ' ' SER . 11.9 mt-10 -46.66 -40.81 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -54.36 -63.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.44 ' CG ' ' OD1' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -51.18 -40.06 57.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.36 -50.52 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -54.74 -55.39 30.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -28.43 20.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.45 -20.71 31.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 75' ' ' GLU . 18.8 ttpp -75.51 -46.04 34.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.57 -31.43 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.04 -52.37 19.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.514 ' CB ' HD11 ' A' ' 86' ' ' LEU . 59.9 mmm -90.92 5.91 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LYS . 21.5 pt-20 -40.61 -49.87 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 9.7 m-20 -116.29 24.59 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.3 163.95 47.24 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.425 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -131.8 122.6 26.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.405 HG13 HG11 ' A' ' 84' ' ' VAL . 6.8 mt -92.28 135.96 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 51.93 43.15 30.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.67 25.24 70.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -133.12 132.66 41.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -66.56 131.67 46.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.416 HG12 HD23 ' A' ' 23' ' ' LEU . 19.9 m -121.29 143.59 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.6 m -109.46 119.64 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.609 HD13 ' HE2' ' A' ' 36' ' ' PHE . 1.5 mt -93.13 129.53 39.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.984 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -146.52 143.06 28.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.549 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 69.8 m95 -63.94 110.45 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.22 121.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -72.06 144.57 87.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.573 0.701 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 168.34 21.77 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 0.0 112.337 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -74.76 169.87 17.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.83 172.8 50.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.551 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -147.66 172.76 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 161.25 68.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 45.77 -119.51 3.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.0 p -100.49 123.47 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -46.64 144.3 4.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.04 36.84 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.9 t -68.58 -64.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t -98.18 91.6 5.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -74.29 -47.73 32.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -129.43 146.0 51.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.61 113.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.512 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -110.21 148.56 31.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -118.25 176.86 5.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.58 -179.44 2.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 173.36 11.06 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.262 . . . . 0.0 112.351 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -53.59 162.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' SER . . . -61.05 131.38 50.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' ALA . 10.4 ptm180 35.44 34.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 10' ' ' ALA . 11.9 t -144.99 134.79 23.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -60.61 158.96 27.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -168.02 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.268 . . . . 0.0 112.348 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.468 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 35.2 t -127.92 150.85 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -79.25 -29.58 42.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.487 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 12.2 m -98.71 126.91 44.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.625 HD12 ' CE1' ' A' ' 61' ' ' PHE . 12.9 mt -94.93 127.84 41.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 17.9 t80 -84.25 121.45 27.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 32' ' ' LEU . 57.8 t -113.92 114.87 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.42 152.21 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.66 38.53 4.67 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.73 HD13 HG21 ' A' ' 27' ' ' THR . 92.4 mt -101.93 154.49 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' THR . 21.4 t -81.22 140.45 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -42.07 -23.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -84.37 -38.19 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.73 HG21 HD13 ' A' ' 23' ' ' LEU . 4.9 m -36.52 121.69 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 31' ' ' THR . 34.2 p -106.1 155.56 19.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' N ' HD12 ' A' ' 44' ' ' ILE . 25.3 mt-10 -54.29 -24.79 20.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.6 -49.51 62.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 28' ' ' THR . 1.6 t -73.89 -18.11 60.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 HD11 ' A' ' 23' ' ' LEU . 55.7 tp -81.76 -38.61 25.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 14.9 tttt -67.36 -56.5 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 36' ' ' PHE . 43.5 mt-10 -51.32 -42.46 61.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -39.4 -26.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.85 ' CE1' HG21 ' A' ' 59' ' ' VAL . 13.2 m-85 -112.61 105.68 13.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -68.15 94.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.44 -44.98 0.95 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.5 p -39.42 158.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 m -103.28 -36.17 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -153.59 167.46 29.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -144.85 156.79 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 -139.77 151.15 45.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 29' ' ' GLU . 22.2 mt -135.37 132.44 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.862 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 5.0 m -73.15 156.56 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.2 p -141.99 150.0 40.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' OD2' HG23 ' A' ' 50' ' ' THR . 31.9 t0 -76.67 144.38 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.818 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.2 ptt-85 -90.12 -12.52 38.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -88.56 -36.05 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.415 HG23 ' OD2' ' A' ' 47' ' ' ASP . 4.9 p -110.46 -36.87 5.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.2 25.21 29.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 m -117.77 165.21 13.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.2 t -65.5 115.86 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -54.95 -49.22 71.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.82 32.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.862 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 41.5 p90 -173.08 152.85 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.588 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.12 -145.38 4.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.6 m-85 -152.0 143.3 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.85 HG21 ' CE1' ' A' ' 36' ' ' PHE . 59.5 t -110.83 114.9 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.71 140.82 40.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.625 ' CE1' HD12 ' A' ' 18' ' ' LEU . 62.3 m-85 -132.95 152.69 51.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -57.2 -31.3 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 m -168.29 153.3 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HG2' ' C ' ' A' ' 15' ' ' SER . 29.3 mt-10 -41.9 -44.88 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -51.57 -64.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.91 -36.35 27.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.99 67.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -53.93 -55.98 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.42 -27.7 16.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.076 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.27 -25.48 27.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HE2' ' NE1' ' A' ' 88' ' ' TRP . 21.5 ttpp -70.37 -48.28 57.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 75' ' ' GLU . 17.1 mt-10 -57.45 -35.91 70.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.32 -56.92 11.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.428 ' CB ' HD11 ' A' ' 86' ' ' LEU . 61.0 mmm -84.09 7.4 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 72' ' ' GLU . 15.4 pt-20 -39.59 -53.69 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -111.83 25.67 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.25 161.01 42.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -136.05 117.59 14.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.5 mt -87.89 137.59 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 t70 55.37 38.22 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.83 21.15 71.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -128.33 131.25 48.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -65.19 128.4 35.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.426 HG12 HD23 ' A' ' 23' ' ' LEU . 29.6 m -114.06 148.48 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.7 m -112.94 116.36 29.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.428 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.1 mt -91.63 129.65 37.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -148.18 145.83 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.468 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 77.8 m95 -67.2 119.87 12.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.42 130.24 44.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -130.51 131.9 23.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 141.96 46.51 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.661 2.24 . . . . 0.0 112.359 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -82.71 114.69 21.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 170.51 116.94 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -144.2 172.51 12.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.39 -142.09 6.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.514 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.58 -109.73 0.24 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.8 t 71.77 42.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.381 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -140.96 82.21 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 155.51 65.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.31 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 84.7 p -91.95 103.42 15.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.3 m -140.68 120.77 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t -74.5 -43.57 55.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 m -152.72 140.28 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.37 -111.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 t -51.75 145.36 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -102.65 147.28 27.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.84 145.57 4.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -28.81 24.5 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.661 2.24 . . . . 0.0 112.318 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 10' ' ' ALA . 4.2 m-80 -66.96 -61.58 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.832 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' ASN . . . -34.47 -70.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -134.99 161.12 36.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 13' ' ' GLN . 8.9 t 60.25 55.03 3.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 36.1 tt0 -34.21 141.13 0.25 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.633 0.73 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 13' ' ' GLN . 53.7 Cg_endo -69.84 -170.8 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.434 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 2.8 p -139.09 155.77 47.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -71.66 -27.35 63.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 58' ' ' PHE . 7.2 m -102.46 123.72 46.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 mt -93.41 126.41 38.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 87' ' ' ASP . 18.7 t80 -84.16 113.83 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.576 HG11 HD11 ' A' ' 32' ' ' LEU . 40.0 t -105.33 106.59 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.168 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -116.82 145.12 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.52 30.27 5.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.615 HD13 HG21 ' A' ' 27' ' ' THR . 68.2 mt -90.98 166.66 12.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 27' ' ' THR . 13.8 t -91.6 140.66 29.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -41.71 -24.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' SER . 42.0 m-20 -86.44 -36.58 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.615 HG21 HD13 ' A' ' 23' ' ' LEU . 4.3 m -34.54 126.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' THR . 36.7 p -112.27 158.35 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.439 ' N ' HD12 ' A' ' 44' ' ' ILE . 7.4 mt-10 -57.68 -25.73 60.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.86 -50.21 65.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 28' ' ' THR . 1.7 t -74.28 -20.2 60.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.576 HD11 HG11 ' A' ' 20' ' ' VAL . 58.2 tp -78.07 -37.6 46.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 13.4 tttm -68.81 -53.29 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' PHE . 67.9 mm-40 -57.21 -41.17 78.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.4 m -38.5 -28.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.945 ' CE1' HG21 ' A' ' 59' ' ' VAL . 13.1 m-85 -110.83 109.09 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -72.24 90.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.03 -35.49 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.419 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 56.1 p -47.41 172.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.418 ' C ' ' HE2' ' A' ' 33' ' ' LYS . 29.5 m -119.06 -34.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -151.88 164.35 37.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' CB ' ' HB2' ' A' ' 33' ' ' LYS . . . -136.28 155.77 49.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -140.53 141.5 35.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.439 HD12 ' N ' ' A' ' 29' ' ' GLU . 13.2 mt -128.68 137.66 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.903 HG21 ' CE2' ' A' ' 56' ' ' PHE . 13.1 m -84.52 153.78 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -141.74 154.6 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -74.61 158.44 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -92.71 -14.69 27.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -97.03 -56.3 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.2 p -81.5 -31.15 33.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.78 28.27 69.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -116.27 167.14 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 t -67.22 114.3 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.512 ' HD3' ' CZ ' ' A' ' 56' ' ' PHE . 27.0 mtpt -56.66 -42.65 79.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.35 27.13 0.77 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.903 ' CE2' HG21 ' A' ' 45' ' ' VAL . 1.3 p90 -163.93 158.33 19.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -163.05 -145.21 4.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.1 m-85 -154.41 148.1 25.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.945 HG21 ' CE1' ' A' ' 36' ' ' PHE . 89.2 t -117.16 114.23 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.74 147.27 37.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.738 ' CE1' HG12 ' A' ' 59' ' ' VAL . 71.9 m-85 -138.59 158.53 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.438 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -63.93 -30.48 71.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 m -165.88 150.04 8.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' C ' ' A' ' 15' ' ' SER . 22.4 mt-10 -44.61 -38.58 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.53 -59.71 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -37.13 68.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.17 89.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -67.02 -49.18 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.93 -24.75 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.44 -31.53 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.628 ' HA ' HD12 ' A' ' 86' ' ' LEU . 23.8 ttpp -66.92 -41.01 87.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.51 -31.13 71.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.99 -49.3 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.538 ' CB ' HD11 ' A' ' 86' ' ' LEU . 56.0 mmm -87.8 14.04 9.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 14.5 pt-20 -55.27 -43.88 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 2.0 m-20 -115.79 18.32 15.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.1 162.1 51.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HB2' ' C ' ' A' ' 82' ' ' ASN . 6.7 pt-20 -135.88 116.95 14.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.551 HD12 HD21 ' A' ' 23' ' ' LEU . 25.1 mt -84.02 138.98 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.0 t70 50.83 41.96 27.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.92 26.7 71.44 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.46 ' ND2' ' HB2' ' A' ' 24' ' ' SER . 45.7 m-20 -133.21 131.64 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -65.79 130.81 44.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.4 m -119.41 149.36 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.7 m -117.81 115.8 25.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 71' ' ' LYS . 2.4 mt -89.88 121.17 31.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 19' ' ' PHE . 22.2 t0 -135.9 136.43 40.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.485 ' NE1' ' HE2' ' A' ' 71' ' ' LYS . 58.9 m95 -60.62 105.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.05 123.74 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -63.35 148.78 92.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.713 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.461 ' O ' ' C ' ' A' ' 92' ' ' LYS . 53.9 Cg_endo -69.75 166.47 27.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 91' ' ' PRO . 16.1 pttt 32.78 43.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.63 -58.74 1.04 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -97.43 -62.69 1.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.46 137.93 4.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.9 74.42 0.24 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 m -42.36 164.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 129.22 -156.98 21.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 172.68 12.2 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.382 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.7 m -126.71 -44.44 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 m -70.46 -52.53 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 m -115.93 -55.06 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m -89.1 156.73 18.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.89 80.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -138.85 116.07 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.894 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -112.63 154.58 25.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.27 -157.4 30.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 80.54 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.393 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -56.16 168.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.02 -53.32 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -83.52 -57.46 3.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -58.41 117.26 4.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -94.45 154.23 40.26 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.584 0.707 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -174.64 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.581 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 4.9 t -131.22 151.71 51.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -70.84 -35.13 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.483 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 28.0 m -99.99 125.02 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.623 HD12 ' CE2' ' A' ' 61' ' ' PHE . 13.2 mt -92.97 139.88 30.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 47.0 t80 -94.01 116.7 29.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t -107.61 110.6 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 3.5 pttp -118.0 148.4 42.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 37.21 4.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.486 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.532 HD13 HG21 ' A' ' 27' ' ' THR . 87.9 mt -100.4 163.6 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 27' ' ' THR . 3.6 t -85.04 138.51 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -41.36 -24.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.1 p30 -85.06 -37.42 20.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.532 HG21 HD13 ' A' ' 23' ' ' LEU . 30.8 m -35.65 118.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 31' ' ' THR . 82.3 p -104.22 160.05 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.541 ' N ' HD12 ' A' ' 44' ' ' ILE . 27.9 mt-10 -54.37 -28.46 43.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -60.83 -57.86 10.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 28' ' ' THR . 2.0 t -66.91 -19.33 65.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD13 HD11 ' A' ' 23' ' ' LEU . 51.8 tp -79.89 -36.77 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -71.52 -52.14 19.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.7 -41.32 77.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.5 m -38.58 -37.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.872 ' CE1' HG21 ' A' ' 59' ' ' VAL . 7.8 m-85 -103.99 107.57 18.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.23 93.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.9 -40.35 1.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.6 p -42.02 156.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.2 m -100.17 -35.66 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.5 mmt-85 -153.08 170.72 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.0 144.97 31.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -130.16 148.13 51.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.541 HD12 ' N ' ' A' ' 29' ' ' GLU . 71.5 mt -133.33 135.65 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.923 HG21 ' CE2' ' A' ' 56' ' ' PHE . 14.5 m -79.37 153.07 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 53' ' ' SER . 82.7 p -140.86 160.8 39.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.97 156.35 36.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.2 ttt85 -94.6 -15.27 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' HG3' HG23 ' A' ' 50' ' ' THR . 9.8 pt-20 -94.5 -48.27 6.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.418 HG23 ' HG3' ' A' ' 49' ' ' GLU . 65.1 p -92.4 -32.77 14.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.07 35.12 39.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.7 t -122.68 163.18 20.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.486 ' HA ' HG22 ' A' ' 46' ' ' THR . 8.6 t -66.58 117.28 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.792 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 43.7 mttm -61.23 -51.58 68.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.77 35.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.923 ' CE2' HG21 ' A' ' 45' ' ' VAL . 23.2 p90 -173.52 150.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.593 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.99 -143.54 3.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 15.7 m-85 -152.86 146.8 25.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.872 HG21 ' CE1' ' A' ' 36' ' ' PHE . 62.1 t -112.62 114.65 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 61' ' ' PHE . 11.0 t0 -77.57 136.91 38.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.623 ' CE2' HD12 ' A' ' 18' ' ' LEU . 68.7 m-85 -127.72 157.74 39.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.563 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.4 OUTLIER -62.66 -36.48 83.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.4 m -160.99 147.43 14.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' HG2' ' C ' ' A' ' 15' ' ' SER . 34.6 mt-10 -37.71 -51.6 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -44.29 -64.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -43.8 53.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.34 -53.2 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -55.62 -50.27 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.32 -33.15 41.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.2 -35.72 35.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.546 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.9 ttpp -57.25 -47.78 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -61.54 -29.13 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.35 -40.73 73.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.574 ' HB2' HD11 ' A' ' 86' ' ' LEU . 66.5 mmm -102.22 9.83 39.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 9.5 pt-20 -42.02 -39.68 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 4.1 t70 -123.22 17.96 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.68 160.25 52.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -133.96 116.64 15.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.508 HD12 HD21 ' A' ' 23' ' ' LEU . 24.4 mt -87.07 138.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 t70 53.84 39.15 30.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.88 21.9 69.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -129.32 135.61 48.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.939 0.4 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -66.68 127.79 33.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.3 m -115.27 142.33 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.1 m -109.5 112.1 24.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 74' ' ' MET . 2.9 mt -87.48 125.81 34.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -140.26 147.72 40.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.581 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 33.6 m95 -68.65 126.3 29.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.95 167.18 22.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' CD ' ' HD2' ' A' ' 91' ' ' PRO . 9.5 tppt? -141.26 136.1 15.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HD2' ' CD ' ' A' ' 90' ' ' LYS . 54.3 Cg_endo -69.68 149.26 67.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.395 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -125.61 119.72 28.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 177.11 111.66 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 44.86 29.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.63 82.81 1.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.456 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -102.36 -170.29 26.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.5 m -112.37 80.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.46 -172.62 49.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 169.15 19.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 m -79.42 123.81 27.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 t -140.56 129.51 23.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.53 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -39.53 130.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.3 p -73.69 150.37 41.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.88 155.9 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -171.69 164.39 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -143.95 130.11 19.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.21 -175.11 16.0 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -172.32 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.744 2.296 . . . . 0.0 112.281 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.469 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 5.3 p-10 -139.17 175.66 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 9' ' ' ASN . . . 69.74 28.41 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' ALA . 84.6 mtt180 38.06 29.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' ALA . 58.5 m -142.3 134.04 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 12' ' ' SER . 13.1 mm-40 -36.42 149.84 0.14 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.606 0.717 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -169.14 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.236 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.444 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 4.9 t -126.03 146.46 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -72.82 -34.37 66.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.535 HG22 ' HB3' ' A' ' 58' ' ' PHE . 5.3 m -98.02 135.05 40.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.817 HD11 ' O ' ' A' ' 67' ' ' ALA . 14.1 mt -104.31 129.91 52.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 66.4 t80 -85.72 126.51 34.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG11 HD11 ' A' ' 32' ' ' LEU . 30.8 t -115.67 115.65 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 27.1 pttt -119.35 144.9 46.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.3 41.72 2.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.476 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 27' ' ' THR . 81.2 mt -105.95 164.32 12.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.9 t -84.47 140.65 31.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -44.55 -22.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 24' ' ' SER . 1.1 p30 -88.96 -32.54 17.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.68 HG21 HD13 ' A' ' 23' ' ' LEU . 9.6 m -36.82 123.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.422 ' O ' HG22 ' A' ' 31' ' ' THR . 19.1 p -107.73 157.06 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.53 ' N ' HD12 ' A' ' 44' ' ' ILE . 15.6 mt-10 -57.24 -24.33 53.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -65.39 -51.31 61.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 28' ' ' THR . 1.4 t -71.16 -32.02 68.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.573 HD13 HD11 ' A' ' 23' ' ' LEU . 48.1 tp -67.43 -38.28 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -67.27 -54.31 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -51.36 -44.35 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 m -38.46 -31.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.739 ' CE1' HG21 ' A' ' 59' ' ' VAL . 23.4 m-85 -108.29 107.47 18.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.32 95.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.68 -40.68 1.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.531 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.424 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 97.2 p -43.25 151.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.977 0.418 . . . . 0.0 110.787 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 41' ' ' ARG . 34.0 m -92.37 -42.76 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.456 ' N ' HG23 ' A' ' 40' ' ' VAL . 38.6 mmt180 -152.63 167.44 28.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.44 158.28 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -140.18 156.54 46.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.53 HD12 ' N ' ' A' ' 29' ' ' GLU . 86.0 mt -135.97 142.67 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.97 HG21 ' CE2' ' A' ' 56' ' ' PHE . 15.6 m -84.25 152.87 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.4 p -138.04 153.69 49.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.88 158.36 30.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -17.78 22.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -92.97 -58.28 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.3 p -80.96 -26.56 36.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.97 37.03 91.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -128.19 161.86 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 t -61.84 111.77 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HD2' ' CZ ' ' A' ' 56' ' ' PHE . 79.3 mttt -52.92 -49.2 66.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.09 35.9 0.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.97 ' CE2' HG21 ' A' ' 45' ' ' VAL . 41.4 p90 -175.09 151.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.546 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.79 -144.86 4.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 13.5 m-85 -148.6 156.6 42.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 36' ' ' PHE . 21.4 t -123.75 120.92 61.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -85.6 143.41 28.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.708 ' CE2' HD12 ' A' ' 18' ' ' LEU . 67.1 m-85 -131.94 156.16 46.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.437 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.3 OUTLIER -66.78 -22.38 66.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 m -167.86 142.39 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HG2' ' C ' ' A' ' 15' ' ' SER . 39.7 mt-10 -42.85 -27.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.23 -47.61 76.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -34.9 77.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.817 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -66.27 -39.66 89.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -68.5 -56.72 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.97 -34.36 28.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.59 -21.87 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 25.1 ttpp -73.92 -50.46 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -55.36 -25.26 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.08 -56.01 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.565 ' CB ' HD11 ' A' ' 86' ' ' LEU . 51.9 mmm -84.21 4.36 31.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' LYS . 16.8 pt-20 -37.82 -50.78 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 75' ' ' GLU . 3.8 p30 -113.32 10.83 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.818 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.22 159.97 40.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -131.38 115.92 16.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.342 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.651 HD12 HD21 ' A' ' 23' ' ' LEU . 22.2 mt -82.6 139.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 79' ' ' ILE . 7.1 p-10 46.61 48.86 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 57.43 33.17 65.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -140.46 135.87 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.66 141.56 58.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.3 m -134.63 145.69 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.145 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.5 m -110.31 121.42 45.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.565 HD11 ' CB ' ' A' ' 74' ' ' MET . 4.3 mt -96.99 126.72 42.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -137.26 165.43 26.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.545 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 51.4 m95 -88.13 125.8 34.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.86 155.84 38.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -159.69 150.43 15.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 110.15 2.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.71 100.69 6.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 97.94 61.55 0.9 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -87.01 49.36 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -144.86 90.27 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.39 63.73 0.39 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.444 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.4 t -174.2 161.39 3.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.967 0.413 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.21 -95.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.519 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 112.19 3.01 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.716 2.277 . . . . 0.0 112.355 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.3 t -152.09 155.5 38.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -85.69 -43.29 13.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 m -134.29 172.05 13.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -146.12 159.99 42.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.14 147.98 7.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t -120.18 -47.86 2.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.837 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -74.11 106.25 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.43 -163.6 24.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 155.3 66.18 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.329 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.93 -26.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.37 -177.2 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -87.54 -57.11 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' GLN . 3.8 t -80.99 164.66 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 12' ' ' SER . 20.3 pt20 -36.0 146.71 0.19 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -164.86 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.8 m -126.65 149.73 49.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -71.03 -35.26 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.445 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 6.8 m -98.05 126.0 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.809 HD12 ' CE2' ' A' ' 61' ' ' PHE . 14.0 mt -94.79 136.93 34.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' CD1' ' CE2' ' A' ' 58' ' ' PHE . 14.3 t80 -89.22 116.82 27.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.498 HG21 HD11 ' A' ' 32' ' ' LEU . 58.7 t -106.08 107.15 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -117.02 138.26 51.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.69 38.46 1.74 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.732 HD22 HG21 ' A' ' 27' ' ' THR . 63.5 mt -98.79 177.4 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 27' ' ' THR . 12.1 t -100.03 140.74 33.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -42.62 -23.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' SER . 29.3 m-20 -91.24 -32.82 15.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.732 HG21 HD22 ' A' ' 23' ' ' LEU . 73.6 m -38.61 122.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.536 ' O ' HG22 ' A' ' 31' ' ' THR . 46.9 p -104.51 160.61 14.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.575 ' N ' HD12 ' A' ' 44' ' ' ILE . 12.4 mt-10 -59.02 -26.42 64.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.14 -49.79 75.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 28' ' ' THR . 4.2 t -73.34 -19.24 61.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 20' ' ' VAL . 50.3 tp -76.74 -38.5 54.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -67.15 -58.41 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' PHE . 56.5 mt-10 -53.76 -43.37 69.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' GLU . 15.1 m -34.82 -32.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.876 ' CE1' HG21 ' A' ' 59' ' ' VAL . 20.3 m-85 -108.36 111.16 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.8 85.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.33 -39.38 0.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -45.97 171.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.6 m -121.4 -33.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -155.29 172.52 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.46 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -149.25 152.56 36.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.0 mtm105 -134.96 128.69 32.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.575 HD12 ' N ' ' A' ' 29' ' ' GLU . 72.7 mt -110.72 144.28 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.636 HG21 ' CE1' ' A' ' 56' ' ' PHE . 3.1 m -86.11 157.98 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.5 p -141.59 150.48 42.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.01 159.15 34.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -94.23 -23.65 17.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -89.84 -56.21 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 p -80.19 -31.61 38.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.37 41.82 76.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.5 t -132.06 164.85 25.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -62.34 108.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -50.53 -49.25 56.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.77 30.72 0.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.636 ' CE1' HG21 ' A' ' 45' ' ' VAL . 42.8 p90 -175.0 158.89 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.588 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.7 -132.26 1.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 53.6 m-85 -159.81 144.34 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.365 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.876 HG21 ' CE1' ' A' ' 36' ' ' PHE . 86.3 t -108.72 116.16 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -82.96 128.31 34.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.809 ' CE2' HD12 ' A' ' 18' ' ' LEU . 43.0 m-85 -119.03 157.36 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -63.37 -33.07 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.4 m -162.29 149.74 13.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -40.86 -43.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -54.24 -63.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -35.34 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.47 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -65.4 -46.54 79.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -57.05 12.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.74 -27.56 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.31 -26.0 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.541 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 23.9 ttpp -68.41 -49.92 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.14 -28.11 56.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.91 -55.31 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.536 ' CB ' HD11 ' A' ' 86' ' ' LEU . 46.2 mmm -84.3 5.21 27.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 22.6 pt-20 -40.69 -52.23 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 33.7 t70 -112.18 24.92 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.5 162.73 43.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -133.88 118.66 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.639 HD12 HD21 ' A' ' 23' ' ' LEU . 12.6 mt -86.99 135.76 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 52.35 45.16 28.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.44 22.47 63.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -129.3 133.81 47.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.14 127.78 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.442 ' CG1' HD23 ' A' ' 23' ' ' LEU . 25.0 m -118.02 145.38 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.1 m -111.93 123.04 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.603 HD13 ' HE2' ' A' ' 36' ' ' PHE . 2.3 mt -98.01 125.78 43.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -142.76 139.05 30.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.541 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 67.5 m95 -58.93 122.13 12.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.03 108.12 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -105.84 125.27 33.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.543 0.687 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 95.64 0.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 92' ' ' LYS . 1.5 tmmm? -84.59 114.26 21.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.17 -81.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.509 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -104.31 130.24 52.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.85 103.42 2.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.26 -45.75 84.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.6 t -115.93 159.12 22.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.893 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.98 -96.52 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 111.24 2.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.639 2.226 . . . . 0.0 112.385 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 t -133.27 -50.66 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.1 m -77.25 118.23 19.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.4 t -87.32 133.93 33.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 2' ' ' SER . 21.1 t -34.93 96.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 139.33 149.59 5.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -116.4 142.53 46.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.893 0.378 . . . . 0.0 110.832 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -83.28 158.32 22.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.813 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.96 87.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.62 3.36 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -56.08 -45.56 79.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.29 172.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -38.7 -38.77 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t -55.58 143.42 29.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -103.57 149.21 36.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 176.32 6.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 3.5 t -112.63 160.15 18.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -82.7 -33.9 27.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.479 ' CG2' ' HB3' ' A' ' 58' ' ' PHE . 16.9 m -98.31 124.65 43.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.644 HD12 ' CE1' ' A' ' 61' ' ' PHE . 12.6 mt -95.62 128.6 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -84.18 123.13 29.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.483 HG11 HD11 ' A' ' 32' ' ' LEU . 44.8 t -113.41 115.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' CG ' ' HB ' ' A' ' 85' ' ' THR . 24.6 pttt -121.09 148.65 43.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.8 44.07 3.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.427 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.544 HD21 HD12 ' A' ' 79' ' ' ILE . 88.9 mt -105.88 162.49 13.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' THR . 8.3 t -82.52 140.11 33.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -44.65 -22.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 24' ' ' SER . 10.2 t0 -90.0 -31.83 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.504 HG21 HD13 ' A' ' 23' ' ' LEU . 21.1 m -38.37 115.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 31' ' ' THR . 41.7 p -101.8 159.34 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -56.74 -23.42 42.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -64.92 -52.94 53.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 28' ' ' THR . 3.2 t -71.34 -29.04 64.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.493 HD12 ' CD1' ' A' ' 79' ' ' ILE . 48.6 tp -68.85 -38.18 79.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -67.19 -55.4 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' SER . 74.5 mm-40 -53.29 -44.32 68.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' GLU . 3.3 m -36.12 -37.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.9 ' CE1' HG21 ' A' ' 59' ' ' VAL . 22.5 m-85 -103.48 108.76 20.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -71.42 93.99 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.63 -38.89 1.4 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.6 p -44.54 164.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.8 m -114.35 -34.61 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -148.31 162.61 39.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.45 147.34 33.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -131.38 145.99 52.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -131.37 134.78 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.864 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 4.8 m -75.53 157.74 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.9 p -140.19 146.15 38.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 49' ' ' GLU . 30.8 t70 -75.09 159.1 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -95.89 -25.46 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' N ' ' OD2' ' A' ' 47' ' ' ASP . 9.4 tt0 -74.87 -58.94 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.6 p -86.17 -37.17 19.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.55 33.87 15.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -126.29 172.41 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.0 m -64.01 111.25 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HB2' HG23 ' A' ' 45' ' ' VAL . 19.5 mmmt -50.31 -50.65 50.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.64 31.69 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.864 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 26.0 p90 -170.99 154.27 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.599 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -156.52 -153.45 6.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 3.9 m-85 -148.22 138.35 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.9 HG21 ' CE1' ' A' ' 36' ' ' PHE . 92.0 t -107.85 117.3 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.43 140.85 33.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.644 ' CE1' HD12 ' A' ' 18' ' ' LEU . 79.3 m-85 -129.04 147.27 50.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -51.49 -37.62 49.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 64' ' ' GLU . 36.6 m -155.47 146.42 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' HG2' ' C ' ' A' ' 15' ' ' SER . 50.3 mt-10 -36.79 -49.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -45.48 -61.19 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.82 -42.4 58.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.63 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -59.24 -51.44 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -58.01 -57.29 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -47.69 -30.04 3.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.7 -30.48 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.532 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 20.2 ttpp -63.71 -47.35 81.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -61.5 -30.62 70.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.59 -49.82 61.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 44.4 mmm -94.11 10.95 31.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -39.34 -47.56 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -118.51 20.98 12.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -76.94 159.55 49.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -132.73 116.06 16.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.544 HD12 HD21 ' A' ' 23' ' ' LEU . 22.9 mt -84.91 137.7 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.7 t70 51.56 44.68 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.44 26.88 64.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -133.71 132.65 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -65.15 130.92 45.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.492 HG12 HD23 ' A' ' 23' ' ' LEU . 20.2 m -118.03 143.92 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.188 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.445 ' HB ' ' CG ' ' A' ' 21' ' ' LYS . 87.8 m -110.27 114.85 28.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mt -90.79 126.09 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -143.52 147.89 35.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.532 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 70.5 m95 -69.44 104.62 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -34.37 -55.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -170.79 133.35 0.95 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.74 116.62 4.64 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -66.95 88.46 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -119.33 173.24 14.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -102.75 112.01 24.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.393 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.42 126.97 1.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.42 -140.21 22.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 40.3 m -135.38 156.09 49.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.83 -179.99 12.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.81 3.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.634 2.223 . . . . 0.0 112.371 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.8 m 60.81 50.03 5.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 t -129.55 178.1 6.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -147.23 134.42 20.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -96.3 94.52 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.34 77.32 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 p -42.09 157.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -96.26 152.96 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.96 -162.48 2.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 150.4 68.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -72.85 77.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.1 167.14 31.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -85.97 -41.3 15.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 m -125.0 -52.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -145.74 151.74 46.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -164.22 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.576 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 6.7 t -123.79 157.95 32.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -83.14 -33.11 26.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 58' ' ' PHE . 5.0 m -98.51 122.78 42.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.9 mt -95.24 130.95 41.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -84.23 124.7 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG11 HD11 ' A' ' 32' ' ' LEU . 41.2 t -112.03 122.43 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -126.52 149.88 49.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.56 34.49 5.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.642 HD13 HG21 ' A' ' 27' ' ' THR . 83.3 mt -98.62 157.81 16.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.356 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' THR . 10.9 t -82.56 139.51 33.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -41.41 -24.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' SER . 21.4 t0 -83.97 -37.91 21.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.642 HG21 HD13 ' A' ' 23' ' ' LEU . 18.8 m -34.89 129.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.0 p -115.97 163.28 16.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -60.93 -20.44 62.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.6 -54.89 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 t -73.15 -19.4 61.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.473 HD11 HG11 ' A' ' 20' ' ' VAL . 63.7 tp -78.52 -37.65 42.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HE3' ' C ' ' A' ' 40' ' ' VAL . 22.4 tttt -68.32 -57.22 6.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -47.99 -42.85 28.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.7 m -40.75 -28.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.829 ' CE1' HG21 ' A' ' 59' ' ' VAL . 13.5 m-85 -113.17 109.73 19.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.02 108.98 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.01 -42.43 1.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.7 p -39.63 151.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.69 HG23 ' HG2' ' A' ' 41' ' ' ARG . 3.9 m -96.73 -34.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.69 ' HG2' HG23 ' A' ' 40' ' ' VAL . 15.4 ptt180 -156.77 165.64 35.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.84 153.91 49.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -139.04 151.24 46.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.425 HG21 ' OG ' ' A' ' 53' ' ' SER . 18.8 mt -136.29 132.94 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.858 HG21 ' CE2' ' A' ' 56' ' ' PHE . 12.6 m -79.48 153.61 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 53' ' ' SER . 39.4 p -140.19 155.34 46.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -74.09 161.42 30.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -93.93 -21.77 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -88.42 -56.35 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.3 p -82.29 -24.09 34.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.64 34.64 90.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -125.63 166.62 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.581 ' HA ' HG22 ' A' ' 46' ' ' THR . 4.0 m -61.08 119.97 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 56' ' ' PHE . 29.2 mtpt -61.88 -35.7 79.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.12 20.15 1.86 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.858 ' CE2' HG21 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -158.94 153.09 23.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.631 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -153.69 -149.96 5.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 4.5 m-85 -149.42 137.01 20.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.829 HG21 ' CE1' ' A' ' 36' ' ' PHE . 58.1 t -108.42 112.47 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.431 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 3.0 m-20 -77.21 155.87 31.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.599 ' CE1' HG12 ' A' ' 59' ' ' VAL . 74.4 m-85 -145.08 144.16 30.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -47.03 -32.92 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.0 m -161.36 159.28 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' C ' ' A' ' 15' ' ' SER . 39.2 mt-10 -50.29 -37.24 35.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -58.02 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.65 -43.64 26.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . . . -57.94 -53.01 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -52.28 -55.58 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.26 -31.48 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.09 -25.5 36.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.491 ' HE2' ' NE1' ' A' ' 88' ' ' TRP . 24.5 ttpp -70.65 -49.86 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.75 -24.87 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.66 -44.62 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.572 ' CB ' HD11 ' A' ' 86' ' ' LEU . 55.6 mmm -98.91 13.8 31.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 71' ' ' LYS . 10.5 pt-20 -52.31 -40.05 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -122.32 25.96 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.7 163.1 40.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -136.13 118.74 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.435 HD12 HD21 ' A' ' 23' ' ' LEU . 9.1 mt -87.79 137.95 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 51.13 46.09 26.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.25 21.64 62.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -126.48 133.18 51.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.369 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 127.8 33.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.44 ' CG1' HD23 ' A' ' 23' ' ' LEU . 29.7 m -114.69 149.87 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.2 m -118.12 114.65 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.572 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.1 mt -89.06 126.71 35.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -142.46 135.34 28.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.576 ' CZ3' ' O ' ' A' ' 15' ' ' SER . 66.5 m95 -55.61 130.38 42.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.64 105.98 10.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 90' ' ' LYS . 3.7 mppt? -69.46 143.23 92.91 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 96.07 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.381 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.458 ' H ' ' CD ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -70.01 174.81 4.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.08 127.62 3.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.17 120.48 9.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.373 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.91 153.45 25.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.46 -110.72 0.25 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.2 m -108.61 99.76 9.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.847 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -166.63 -177.98 38.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 172.5 12.56 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -171.57 169.49 6.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.4 t -135.1 159.13 42.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -137.64 123.54 20.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -140.77 112.41 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 161.61 -132.23 2.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.516 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.7 m -36.9 111.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 p -88.86 105.8 17.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.88 83.65 0.33 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.477 ' HG3' ' CE ' ' A' ' 68' ' ' LYS . 53.2 Cg_endo -69.77 -19.74 35.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -155.26 122.98 5.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.24 -39.09 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -106.67 -40.35 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 t -137.03 167.16 22.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -57.91 158.13 13.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.73 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.429 ' C ' ' HG2' ' A' ' 64' ' ' GLU . 1.8 m -121.4 158.56 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -86.25 -33.0 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 58' ' ' PHE . 8.4 m -98.72 132.0 44.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.628 HD12 ' CE1' ' A' ' 61' ' ' PHE . 13.4 mt -102.47 130.3 49.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 21' ' ' LYS . 31.4 t80 -84.2 119.64 25.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 32' ' ' LEU . 65.9 t -109.25 122.18 63.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 10.2 pttt -127.13 147.97 50.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.19 37.36 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.579 HD22 HG21 ' A' ' 27' ' ' THR . 72.0 mt -98.53 167.33 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 27' ' ' THR . 10.0 t -91.03 140.65 29.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -42.41 -23.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' SER . 36.8 t0 -88.85 -34.49 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.579 HG21 HD22 ' A' ' 23' ' ' LEU . 22.5 m -36.17 115.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.428 ' O ' HG22 ' A' ' 31' ' ' THR . 62.3 p -101.44 158.32 16.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -54.24 -25.29 22.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -65.06 -57.76 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 28' ' ' THR . 3.7 t -65.29 -29.2 69.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.506 HD11 HG11 ' A' ' 20' ' ' VAL . 50.2 tp -70.32 -39.49 74.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -69.53 -52.03 30.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -55.44 -42.21 73.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -38.6 -36.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.944 ' CE1' HG21 ' A' ' 59' ' ' VAL . 25.1 m-85 -98.97 110.27 22.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.27 47.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.1 27.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 97.8 p -109.8 172.83 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.398 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.422 HG11 ' OD1' ' A' ' 62' ' ' ASN . 27.5 m -118.79 -35.67 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.0 mtt85 -150.73 163.25 39.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.74 155.66 45.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -144.91 150.96 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.6 mt -135.37 138.36 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.949 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 12.0 m -78.5 156.12 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.3 p -141.65 154.75 45.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -79.05 155.98 28.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -92.17 -16.69 25.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -92.35 -55.1 3.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -84.39 -34.09 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.85 40.67 35.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 m -132.13 166.29 22.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 t -63.84 109.43 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HB2' HG23 ' A' ' 45' ' ' VAL . 42.3 mttm -51.24 -47.81 62.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.78 31.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.448 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.949 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 48.1 p90 -171.55 152.05 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.884 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.411 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -154.98 -145.14 4.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.519 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.495 ' HB3' HG22 ' A' ' 17' ' ' THR . 46.9 m-85 -152.56 145.45 24.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.944 HG21 ' CE1' ' A' ' 36' ' ' PHE . 83.8 t -111.82 113.75 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.53 149.08 36.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.641 ' CE1' HG12 ' A' ' 59' ' ' VAL . 88.9 m-85 -139.49 153.33 47.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.422 ' OD1' HG11 ' A' ' 40' ' ' VAL . 3.9 m120 -62.08 -30.53 71.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.6 m -161.47 147.17 13.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.429 ' HG2' ' C ' ' A' ' 15' ' ' SER . 25.1 mt-10 -39.34 -45.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -48.93 -60.48 2.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -50.41 -44.4 55.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -57.34 -54.57 45.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.477 ' CE ' ' HG3' ' A' ' 8' ' ' PRO . 32.7 tttm -53.74 -57.79 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.71 -28.41 9.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.91 -21.64 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.54 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 18.4 ttpp -74.14 -47.24 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -57.01 -37.95 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.9 -50.68 63.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.559 ' CB ' HD11 ' A' ' 86' ' ' LEU . 63.8 mmm -87.13 4.73 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 16.7 pt-20 -39.77 -51.04 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 13.9 t0 -115.65 27.39 9.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.69 159.56 38.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -135.17 118.24 16.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.566 HD12 HD21 ' A' ' 23' ' ' LEU . 10.9 mt -88.28 137.77 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 t70 52.89 39.31 28.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.79 25.0 73.01 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -130.9 130.51 43.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -66.83 127.27 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.3 m -114.92 146.95 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 85.9 m -113.43 120.48 41.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.559 HD11 ' CB ' ' A' ' 74' ' ' MET . 1.2 mt -97.29 123.61 41.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.38 144.61 38.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.54 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 78.2 m95 -64.02 121.32 13.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.64 115.31 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -106.48 137.05 19.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.63 0.729 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.6 60.6 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -88.33 85.01 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.33 55.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -90.01 89.89 7.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 170.98 -57.73 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 97' ' ' SER . . . 161.76 -62.95 0.28 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.461 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 96' ' ' GLY . 20.5 m 35.16 53.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.925 0.393 . . . . 0.0 110.854 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.56 159.72 29.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.434 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.232 . . . . 0.0 112.402 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.5 m -68.93 101.75 1.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.0 t -48.55 156.96 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -81.19 169.16 17.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.382 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.0 p -139.16 158.44 44.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.08 166.81 18.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -109.39 144.57 37.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.873 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -77.43 120.65 22.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.33 -179.13 39.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -23.19 31.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.387 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -83.28 -56.31 3.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.08 -46.42 22.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -106.71 170.13 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.7 p -38.05 147.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -41.36 155.05 0.22 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.709 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -170.01 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' CZ3' ' A' ' 88' ' ' TRP . 1.9 m -136.53 136.71 39.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -60.98 -38.02 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.482 HG22 ' HB3' ' A' ' 58' ' ' PHE . 7.9 m -97.98 128.03 44.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.54 HD12 ' CE1' ' A' ' 61' ' ' PHE . 11.0 mt -95.09 140.77 29.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -94.14 119.9 33.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.416 HG11 HD11 ' A' ' 32' ' ' LEU . 41.3 t -110.74 120.57 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -126.69 147.88 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.85 29.41 6.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.648 HD21 HD12 ' A' ' 79' ' ' ILE . 84.9 mt -91.22 165.43 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.321 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 27' ' ' THR . 17.0 t -88.43 140.69 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -42.6 -23.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' THR . 81.2 m-20 -89.05 -33.86 16.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.555 HG21 HD22 ' A' ' 23' ' ' LEU . 22.5 m -34.31 121.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' HG22 ' A' ' 31' ' ' THR . 33.1 p -106.43 157.89 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.495 ' N ' HD12 ' A' ' 44' ' ' ILE . 9.1 mt-10 -56.89 -25.4 56.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -64.96 -49.07 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 28' ' ' THR . 3.7 t -77.23 -24.15 51.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.132 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.521 HD13 HD11 ' A' ' 23' ' ' LEU . 58.5 tp -76.69 -33.51 58.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 12.7 tttm -72.7 -60.04 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' PHE . 8.4 mm-40 -48.61 -45.69 38.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' GLU . 18.2 m -36.4 -32.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.608 ' CE1' HG21 ' A' ' 59' ' ' VAL . 18.8 m-85 -106.93 100.99 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.74 98.62 0.93 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.11 -35.43 1.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.1 p -51.06 168.74 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.5 m -117.28 -28.24 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -154.51 160.7 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . . . -141.33 146.22 36.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.3 mmt-85 -131.91 151.59 51.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 29' ' ' GLU . 63.9 mt -134.07 132.37 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.9 HG21 ' CE2' ' A' ' 56' ' ' PHE . 5.3 m -82.38 157.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 53' ' ' SER . 49.2 p -141.54 170.47 15.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 49' ' ' GLU . 30.2 t0 -71.87 152.62 42.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -90.99 -3.53 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' H ' ' CG ' ' A' ' 47' ' ' ASP . 16.3 tp10 -104.37 -58.2 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.9 p -90.17 -34.91 15.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.9 22.79 40.93 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 p -98.99 152.09 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.486 ' HA ' HG22 ' A' ' 46' ' ' THR . 5.9 t -55.73 117.21 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 4.4 mtpm? -64.07 -43.83 94.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.25 32.02 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.9 ' CE2' HG21 ' A' ' 45' ' ' VAL . 29.9 p90 -172.88 154.51 2.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.65 ' C ' ' CD1' ' A' ' 58' ' ' PHE . . . -155.11 -135.26 2.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 57' ' ' GLY . 27.1 m-85 -156.81 149.2 23.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.741 HG12 ' CE1' ' A' ' 61' ' ' PHE . 95.4 t -116.02 113.74 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -80.47 135.1 36.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.741 ' CE1' HG12 ' A' ' 59' ' ' VAL . 70.3 m-85 -127.92 145.32 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -47.79 -36.31 11.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' GLU . 19.4 m -161.99 148.21 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' SER . 17.3 mt-10 -36.12 -53.28 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -44.04 -62.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.64 -41.35 42.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.06 -50.1 75.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -54.66 -56.71 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.09 -28.1 6.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.9 -25.67 26.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.536 ' HE2' ' CE2' ' A' ' 88' ' ' TRP . 22.7 ttpp -69.38 -49.79 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -57.51 -35.69 70.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.88 -53.78 35.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.409 ' CB ' HD11 ' A' ' 86' ' ' LEU . 73.6 mmm -87.38 6.34 34.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 71' ' ' LYS . 20.2 pt-20 -39.53 -50.12 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -117.22 28.54 8.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.07 162.82 40.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.76 120.4 17.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.648 HD12 HD21 ' A' ' 23' ' ' LEU . 20.5 mt -88.36 137.15 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t0 51.5 38.14 21.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.05 26.51 74.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.505 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -132.23 129.88 40.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -65.24 129.35 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.7 m -117.84 143.87 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.5 m -108.96 123.36 48.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.409 HD11 ' CB ' ' A' ' 74' ' ' MET . 2.0 mt -99.17 127.6 45.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.1 145.23 32.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.536 ' CE2' ' HE2' ' A' ' 71' ' ' LYS . 64.2 m95 -65.64 103.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -36.91 137.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -101.45 142.14 24.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 110.918 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 129.27 17.37 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.747 2.298 . . . . 0.0 112.329 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -96.11 105.12 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.71 128.93 1.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -142.22 155.78 45.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.93 0.395 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.57 -85.64 0.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.18 109.01 1.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 83.6 p -169.73 127.64 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.389 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.56 157.83 29.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 116.52 4.6 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 m -125.33 155.39 40.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 m -52.85 168.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.999 . . . . . . . . 0 0 . 1 stop_ save_