data_2mnq_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 2mnq _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.839 0.352 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 61.2 t0 -58.87 -36.36 74.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' A' ' 5' ' ' VAL . . . -56.02 -21.0 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.87 -14.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.637 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.47 ' H ' ' C ' ' A' ' 3' ' ' ALA . 2.1 p -56.58 -38.9 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.541 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.43 -40.11 89.89 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.639 ' O ' ' N ' ' A' ' 9' ' ' SER . 96.0 m -62.58 -35.95 81.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.608 178.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -41.33 -14.59 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.433 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -54.07 -41.23 67.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.759 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -9.48 52.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.639 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.2 mm 64.08 81.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.664 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.94 -36.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.8 -39.83 8.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -75.39 -35.64 61.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.367 179.127 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -54.31 -33.09 58.06 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.986 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.14 -30.13 35.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -70.03 -46.46 65.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.762 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.76 -43.45 84.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.581 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.421 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 9.4 tttp -56.58 -35.15 67.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.965 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 7.3 tptp -75.6 -36.51 60.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -43.32 85.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' GLU . 15.5 m -60.9 -25.36 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.832 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 20' ' ' LYS . 2.7 p -43.35 -30.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.0 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -37.19 76.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.768 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' VAL . 8.1 tp10 -57.98 -14.61 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.813 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.313 179.783 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.842 0.353 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -54.92 -37.49 66.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.462 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.47 -27.81 66.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.592 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -47.06 -34.45 5.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.29 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.7 m -41.08 -32.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.966 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -54.68 -40.83 69.49 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.592 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 40.4 p -63.65 -36.98 85.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.434 177.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m -56.92 -33.47 67.0 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.076 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.29 -40.94 75.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.787 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.03 -21.97 59.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.666 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.0 mt -94.31 108.1 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.722 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.0 28.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 78.1 m -68.04 -50.85 52.76 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.709 ' CD ' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.44 -30.86 69.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.803 179.25 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -29.73 68.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.98 -29.19 41.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.42 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HG2' ' HZ3' ' A' ' 17' ' ' LYS . 37.9 mttm -60.46 -49.15 78.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.017 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -64.53 -45.71 86.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.732 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' CB ' ' HZ2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -60.71 -36.61 79.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.72 179.29 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.62 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 17.2 ttmt -65.7 -40.91 92.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.055 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -56.73 -43.04 80.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.069 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.29 -22.39 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.358 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.62 ' CG1' ' O ' ' A' ' 20' ' ' LYS . 3.0 p -52.6 -23.41 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.44 -37.14 36.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 109.813 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -55.35 -15.14 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.606 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.971 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.909 0.385 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -37.14 63.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.009 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.22 -25.98 64.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.455 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -55.84 -26.39 46.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.12 -39.14 77.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.457 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -60.28 -40.76 91.59 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 7.1 p -63.2 -36.95 85.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.81 178.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 t -47.58 -23.7 0.72 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.395 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -41.04 71.34 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.816 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.04 -14.53 62.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.707 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 pt -146.44 99.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.978 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.33 -66.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.151 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -48.55 -42.14 32.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.887 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -74.66 -34.94 62.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.088 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -30.95 69.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.133 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mt -53.24 -28.58 28.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -67.51 -32.12 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.457 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.89 -30.13 71.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.984 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -67.57 -41.13 84.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.112 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 26.7 mmtm -72.54 -29.6 63.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 109.943 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.25 -38.33 71.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.324 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.88 -41.1 87.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.855 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 20' ' ' LYS . 7.1 m -62.4 -37.46 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.591 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -49.69 -38.29 32.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -59.35 -14.36 11.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.437 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.878 0.37 . . . . 0.0 110.634 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.61 -36.29 23.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.478 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 5' ' ' VAL . . . -57.21 -25.03 58.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -45.2 -14.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.337 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.589 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.5 t -41.03 -37.3 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -59.83 -40.56 88.91 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.676 ' N ' ' O ' ' A' ' 4' ' ' ALA . 26.6 p -63.19 -20.39 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.575 177.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.589 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 78.5 p -36.82 -22.48 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.775 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.674 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -50.25 -47.13 55.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.57 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 4.3 mt-10 -69.77 3.14 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.115 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.6 ' O ' ' CB ' ' A' ' 12' ' ' THR . 4.4 pt 54.65 -155.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.05 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.6 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.4 m 89.13 -14.02 0.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.191 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.2 m -59.12 -48.08 82.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.309 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -68.15 -37.24 80.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.946 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.81 -34.6 67.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.646 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -29.64 42.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.217 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -69.42 -38.61 77.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.334 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -37.99 58.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.027 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -73.41 -31.6 63.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.435 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -74.57 -32.17 62.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.417 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.529 ' O ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -69.64 -39.82 76.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.375 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 23' ' ' VAL . 2.1 p -60.01 -27.14 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.522 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 16.0 t -52.66 -37.58 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.521 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.5 -39.63 84.41 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.556 ' OE1' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -60.95 -14.3 21.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 109.662 179.15 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.708 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -59.23 -33.95 71.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.686 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.412 ' O ' ' OD2' ' A' ' 6' ' ' ASP . . . -57.78 -19.77 30.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.737 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.15 -19.32 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -59.46 -38.2 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.563 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.412 ' OD2' ' O ' ' A' ' 3' ' ' ALA . 7.8 m-20 -59.56 -40.37 87.13 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -62.51 -36.59 83.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.229 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 10' ' ' GLU . 3.9 t -47.7 -25.91 1.37 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.774 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.34 -20.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.071 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 8' ' ' SER . 0.6 OUTLIER -69.51 -43.55 72.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.405 179.683 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' SER . 3.4 pt -129.94 129.49 65.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.42 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.9 p -122.07 16.46 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.751 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.547 ' HG1' ' N ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -65.31 -50.48 65.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.686 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.547 ' N ' ' HG1' ' A' ' 13' ' ' THR . 21.9 mttt -66.02 -37.17 85.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.254 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.67 -31.27 72.39 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 tp -54.25 -28.73 43.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.439 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -52.22 -43.18 64.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.612 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -40.89 86.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.568 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 28.5 mttp -69.33 -33.08 72.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.377 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -73.95 -29.62 62.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.985 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -66.49 -45.29 80.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 3.7 m -60.34 -30.67 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.821 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 74.7 t -52.12 -33.88 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -49.85 -37.74 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.36 -13.76 6.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.532 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.892 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.679 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 6.3 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.856 0.36 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.679 ' N ' ' OG ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -48.86 -34.24 12.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.537 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.16 -21.94 25.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.537 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.7 -34.23 69.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.329 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.421 ' HA ' ' HG ' ' A' ' 8' ' ' SER . 11.9 t -58.38 -38.18 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.39 -38.51 80.7 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.6 m -60.62 -37.11 80.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.144 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.421 ' HG ' ' HA ' ' A' ' 5' ' ' VAL . 4.2 m -57.23 -21.91 37.25 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.886 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -53.03 -25.5 12.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.334 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.96 -39.57 71.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.127 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.529 ' CG2' ' H ' ' A' ' 12' ' ' THR . 3.3 mm -111.04 -161.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.7 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.529 ' H ' ' CG2' ' A' ' 11' ' ' ILE . 68.5 p 46.12 21.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.383 . . . . 0.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -63.24 -43.82 96.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.303 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -37.56 76.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.099 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.29 -33.03 74.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.26 -28.27 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.954 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -47.88 -32.88 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.438 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 18' ' ' GLU . 1.1 mp0 -65.42 -39.77 92.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.318 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.425 ' O ' ' CG1' ' A' ' 22' ' ' VAL . 16.4 mttp -64.62 -46.57 82.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.473 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -39.26 93.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.941 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' O ' ' CD ' ' A' ' 24' ' ' GLU . 2.1 tp10 -56.64 -32.8 65.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.819 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -58.38 -20.75 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.146 179.67 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.5 p -41.92 -22.18 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.241 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.556 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 1.3 mp0 -49.88 -36.24 26.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.772 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -53.09 -17.52 1.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.43 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.588 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 1.7 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.909 0.385 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.588 ' N ' ' OG ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -47.74 -32.0 5.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.584 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.99 -24.42 58.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.182 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.677 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -58.94 -13.65 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.478 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 6' ' ' ASP . 2.6 p -41.11 -38.86 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.482 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 7.5 t0 -60.58 -39.47 88.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.677 ' N ' ' O ' ' A' ' 4' ' ' ALA . 28.0 m -62.27 -38.12 88.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.81 178.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -16.21 0.12 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.575 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 7' ' ' THR . 25.1 m -52.2 -18.13 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.301 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.719 ' C ' ' H ' ' A' ' 12' ' ' THR . 1.1 mm-40 -65.99 -24.75 66.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.161 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 10' ' ' GLU . 20.8 tt 48.08 -3.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.583 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.719 ' H ' ' C ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -65.76 -32.84 74.61 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.201 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.82 -31.2 71.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.915 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -73.2 -41.47 63.76 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.02 -37.58 71.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.23 -30.14 59.42 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.458 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -40.15 73.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.268 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -57.32 -40.15 77.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.221 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.464 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 10.8 tttt -72.86 -38.55 67.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.977 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -70.53 -29.49 65.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.55 -41.34 97.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.194 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.472 HG21 ' N ' ' A' ' 23' ' ' VAL . 7.0 m -59.34 -28.18 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.248 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.472 ' N ' HG21 ' A' ' 22' ' ' VAL . 94.9 t -59.05 -37.19 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.111 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -56.89 -37.49 71.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.937 0.399 . . . . 0.0 110.141 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 25' ' ' GLU . 52.1 mt-10 -57.65 -14.51 5.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.661 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.168 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.415 ' HB3' ' H ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.678 0.275 . . . . 0.0 110.576 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER -52.18 -36.77 52.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -50.3 -28.01 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.997 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.01 -22.33 0.2 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.188 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' A' ' 8' ' ' SER . 4.0 t -50.07 -37.84 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.57 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -38.9 82.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.2 m -60.83 -34.76 75.06 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 1.6 m -42.95 -30.08 0.38 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.722 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 p -53.21 -46.67 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.999 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.589 ' O ' ' O ' ' A' ' 11' ' ' ILE . 2.3 mm-40 -61.94 -11.05 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.874 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.664 ' O ' ' CB ' ' A' ' 12' ' ' THR . 23.2 pt 38.43 -172.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.272 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.664 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 91.8 m 123.47 -4.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.188 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -49.02 12.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.089 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HZ2' ' HG3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -73.99 -33.48 63.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.097 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -57.31 -36.9 71.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.197 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -30.94 47.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.433 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -70.6 -33.19 70.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.407 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.552 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 4.0 tp10 -60.72 -33.83 73.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.153 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -62.33 -41.82 98.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.056 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.479 ' HD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.25 -50.89 50.81 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.879 179.642 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.84 -36.12 82.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.687 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.552 ' CG2' ' O ' ' A' ' 18' ' ' GLU . 6.3 t -59.9 -34.21 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.019 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.4 t -46.44 -28.58 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.599 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.41 -37.95 79.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.471 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -59.19 -14.33 10.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.043 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.505 179.773 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.971 0.415 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -37.16 78.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.651 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.436 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -54.37 -25.38 24.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -45.85 -20.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 3' ' ' ALA . 8.7 p -49.81 -37.55 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.979 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' A' ' 7' ' ' THR . 6.1 p30 -57.3 -39.65 76.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.643 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 57.1 m -61.92 -36.63 81.93 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 t -50.52 -37.31 38.45 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.587 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.27 -21.57 1.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.445 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.99 -36.78 78.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.609 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 tt -83.84 22.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.505 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.7 m -95.06 -11.94 27.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.986 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.0 m -55.63 -49.18 73.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.973 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -73.55 -32.53 64.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -66.02 -27.42 68.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.98 -30.55 35.73 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -70.63 -40.07 73.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.843 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -68.72 -43.01 76.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.358 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.479 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 6.6 tptp -60.46 -38.54 84.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.946 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.482 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 6.9 ttpt -73.94 -30.01 62.33 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.91 -31.25 68.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.898 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 3.4 m -52.52 -31.78 16.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.083 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 20' ' ' LYS . 3.9 m -59.03 -37.28 66.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.942 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.46 ' N ' HG22 ' A' ' 23' ' ' VAL . 9.5 mm-40 -59.79 -37.0 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -16.72 4.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.529 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.62 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 4' ' ' ALA . 11.3 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.832 0.348 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 46.3 t0 -48.22 -37.38 15.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.16 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.333 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.651 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -53.01 -21.03 3.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.46 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 6' ' ' ASP . 13.9 p -43.79 -38.36 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.434 ' N ' HG13 ' A' ' 5' ' ' VAL . 55.9 m-20 -60.07 -38.4 82.75 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.651 ' N ' ' O ' ' A' ' 4' ' ' ALA . 0.2 OUTLIER -60.95 -37.59 82.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.25 178.347 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.5 t -44.54 -17.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.231 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 7' ' ' THR . 66.7 m -51.21 -41.11 60.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.205 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.22 -2.37 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.942 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' SER . 3.3 mp 62.47 67.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -119.09 18.61 13.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.176 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.458 ' H ' ' HG1' ' A' ' 13' ' ' THR . 0.2 OUTLIER -71.78 -46.95 56.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.513 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.95 -38.87 89.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.024 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 24.8 m-20 -61.19 -35.33 76.86 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.53 -27.09 35.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.867 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.7 -34.45 12.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.916 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -71.51 -37.04 71.26 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.209 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -36.68 64.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.316 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -30.09 71.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.017 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.4 -46.22 89.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.013 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 23' ' ' VAL . 1.3 m -59.77 -34.4 55.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.945 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.483 ' N ' HG22 ' A' ' 22' ' ' VAL . 92.0 t -59.67 -24.96 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 110.437 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 26' ' ' ALA . 9.3 tt0 -51.53 -38.15 52.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.017 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.26 -14.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.322 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.784 0.326 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -37.32 14.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -59.31 -14.53 11.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.779 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.6 -19.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.58 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.432 ' CG2' ' N ' ' A' ' 6' ' ' ASP . 5.3 m -59.23 -39.63 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.432 ' N ' ' CG2' ' A' ' 5' ' ' VAL . 32.0 t0 -61.49 -39.96 92.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.9 m -62.34 -37.61 86.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.933 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 p -57.66 -18.29 19.65 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.699 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 p -57.61 -36.34 71.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.548 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.71 -26.96 67.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.285 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.507 ' O ' ' CG2' ' A' ' 11' ' ' ILE . 2.4 tt -144.53 87.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.381 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -68.1 -19.29 64.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.384 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.499 ' H ' ' HG1' ' A' ' 13' ' ' THR . 0.0 OUTLIER -55.82 -36.19 67.2 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.972 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HZ3' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -74.71 -37.84 62.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.328 179.679 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.37 -40.49 68.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tp -53.98 -29.82 44.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.894 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -36.04 78.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.579 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.56 -44.3 91.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.691 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 7.5 mttp -69.93 -41.09 75.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.039 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -62.58 -29.95 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.792 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -55.13 -40.76 70.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.671 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 23' ' ' VAL . 4.7 m -49.04 -35.32 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.442 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -59.08 -24.11 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.901 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' N ' ' A' ' 26' ' ' ALA . 2.4 tp10 -49.22 -37.74 24.09 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.818 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -49.26 -19.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.551 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.679 0.276 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.71 -37.58 63.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.816 0.341 . . . . 0.0 110.636 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.5 -22.86 62.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.595 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.582 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -49.29 -27.27 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 6' ' ' ASP . 12.4 p -43.74 -37.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.44 ' N ' HG12 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -59.89 -40.52 89.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.356 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.582 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 43.4 p -63.3 -37.58 87.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.11 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.507 ' N ' ' HG1' ' A' ' 7' ' ' THR . 36.7 m -57.41 -15.22 6.1 Favored 'General case' 0 N--CA 1.46 0.042 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.74 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.9 p -57.68 -8.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.016 0.436 . . . . 0.0 110.085 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 8' ' ' SER . 7.2 pt-20 -69.02 -41.81 77.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 8' ' ' SER . 4.8 pt -76.71 49.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.742 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.9 p -117.4 -27.05 6.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.457 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -35.58 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.391 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -73.99 -37.57 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.114 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -32.65 73.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.22 -29.25 45.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.362 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -62.75 -33.8 75.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.648 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -52.56 40.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -64.41 -36.21 83.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.368 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.507 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -63.79 -35.22 79.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.23 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -56.19 -39.33 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.235 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 t -59.13 -28.05 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.772 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' A' ' 20' ' ' LYS . 3.3 p -50.53 -36.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.552 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.45 ' N ' HG13 ' A' ' 23' ' ' VAL . 24.9 mt-10 -52.2 -37.96 56.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.955 0.407 . . . . 0.0 109.999 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.38 -14.21 4.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.068 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.494 179.862 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.634 0.254 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.12 -38.03 67.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.72 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.76 -15.71 22.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.596 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -58.38 -21.08 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.513 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.3 m -59.82 -39.15 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -41.33 97.2 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.596 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 80.9 p -63.1 -36.6 84.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.414 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.419 ' C ' ' N ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -45.47 -16.17 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.476 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -48.42 -17.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.558 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 11' ' ' ILE . 2.4 tt0 -69.49 -34.07 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.661 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER 31.38 -103.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.508 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.586 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.1 OUTLIER -150.95 44.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.715 -179.836 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.9 m -86.65 -50.59 6.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.7 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -74.17 -32.13 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.92 -33.75 74.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.175 0.512 . . . . 0.0 109.893 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tp -54.31 -29.04 46.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.859 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -59.87 -46.93 87.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.323 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.82 -38.52 91.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.861 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -37.93 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.031 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -62.89 -32.95 74.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.041 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -60.51 -34.72 74.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.113 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.419 ' C ' ' N ' ' A' ' 24' ' ' GLU . 66.6 t -57.55 -25.0 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.038 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 2.5 p -49.93 -16.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.241 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 22' ' ' VAL . 9.9 mt-10 -49.59 -37.41 27.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.002 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.74 -14.89 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.625 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.391 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.016 0.436 . . . . 0.0 110.717 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.537 ' O ' ' CG2' ' A' ' 5' ' ' VAL . 1.5 m-20 -50.42 -36.36 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.63 -34.75 62.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.003 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.579 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -59.77 -15.4 20.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.416 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 2' ' ' ASP . 71.5 t -57.01 -38.64 61.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.596 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.54 -41.3 94.19 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.446 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.579 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 41.9 p -63.73 -37.26 86.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.794 178.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.439 ' O ' ' CG2' ' A' ' 11' ' ' ILE . 1.3 p -48.37 -17.35 0.14 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.889 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 7' ' ' THR . 43.5 t -68.04 -33.71 75.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.611 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.612 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.6 mt-10 -69.16 -12.28 61.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.439 ' CG2' ' O ' ' A' ' 8' ' ' SER . 1.6 tt -66.63 24.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.027 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.612 ' H ' ' C ' ' A' ' 10' ' ' GLU . 15.2 p -135.35 -7.27 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.144 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 t -50.72 -44.1 58.14 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.218 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -36.68 64.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.225 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -54.78 -40.45 69.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -55.01 -30.39 59.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.29 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -69.21 -54.84 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.022 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.68 -38.16 74.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.984 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 1.9 tptp -73.34 -28.64 62.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.595 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -74.8 -31.42 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.264 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -63.71 -34.93 78.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.324 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 25' ' ' GLU . 2.5 m -59.54 -19.97 17.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.797 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.8 t -42.08 -32.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.903 0.382 . . . . 0.0 110.151 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.68 -37.34 75.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.859 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 22' ' ' VAL . 4.0 tt0 -56.38 -16.14 5.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.721 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.816 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.774 0.321 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -48.88 -37.43 19.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.258 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.87 -26.26 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.837 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.6 77.16 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.732 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 t -61.7 -40.11 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.482 ' OD1' ' C ' ' A' ' 6' ' ' ASP . 4.4 t0 -60.89 -38.87 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.5 ' C ' ' H ' ' A' ' 9' ' ' SER . 22.1 m -61.08 -34.99 75.79 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.146 178.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 11' ' ' ILE . 4.5 m -47.16 -15.03 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.099 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.5 ' H ' ' C ' ' A' ' 7' ' ' THR . 83.7 p -48.91 -42.6 37.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.162 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.442 ' C ' ' CG2' ' A' ' 11' ' ' ILE . 1.3 mp0 -69.78 -0.25 6.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.334 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.522 ' CG1' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER 57.38 115.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.287 -179.327 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -149.04 41.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.089 -179.639 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.56 ' CG2' ' N ' ' A' ' 14' ' ' LYS . 14.8 t -50.25 -52.09 39.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.924 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' N ' ' CG2' ' A' ' 13' ' ' THR . 10.4 ttmt -73.42 -32.37 64.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.482 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -33.94 74.52 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -54.88 -29.3 55.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.636 178.855 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -53.83 -46.72 71.25 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.951 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.26 -46.12 89.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.839 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -71.54 -28.42 63.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -71.84 -34.19 69.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.385 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.24 -36.43 84.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.202 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.454 ' C ' ' N ' ' A' ' 24' ' ' GLU . 44.0 t -59.11 -25.8 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.544 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 4.1 p -45.32 -18.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.462 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 22' ' ' VAL . 5.0 mm-40 -51.16 -37.36 45.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.168 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -56.39 -14.86 3.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.761 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.356 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.753 0.311 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.6 -37.23 57.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.267 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.574 ' O ' ' OD2' ' A' ' 6' ' ' ASP . . . -59.61 -29.75 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.67 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.65 -26.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.506 ' O ' ' OG ' ' A' ' 8' ' ' SER . 50.1 t -59.76 -38.5 76.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.728 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.686 ' OD1' ' N ' ' A' ' 7' ' ' THR . 2.8 p30 -60.06 -39.83 87.36 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.686 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 1.0 OUTLIER -61.69 -34.94 76.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.064 178.28 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 10.3 p -44.81 -16.72 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.318 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 7' ' ' THR . 8.8 m -48.34 -27.03 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.897 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' A' ' 12' ' ' THR . 2.1 mt-10 -56.06 -25.27 44.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.266 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.45 ' C ' ' H ' ' A' ' 13' ' ' THR . 14.8 mt 66.05 -41.66 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.047 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.531 ' H ' ' C ' ' A' ' 10' ' ' GLU . 3.8 t -73.1 6.39 2.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.982 0.42 . . . . 0.0 109.907 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.45 ' H ' ' C ' ' A' ' 11' ' ' ILE . 96.1 m -78.0 -40.98 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.889 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -75.1 -35.19 61.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.671 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -40.77 66.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -30.16 70.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.845 178.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -58.73 -36.31 74.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.098 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -57.98 -47.0 84.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.771 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -35.88 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.357 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -72.02 -29.9 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.038 179.594 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 3.3 tt0 -64.87 -41.04 95.98 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.649 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.4 t -59.5 -36.05 62.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.028 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.486 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 62.1 t -56.37 -29.38 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.39 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.619 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 9.0 mp0 -49.91 -38.71 37.25 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.654 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.39 -22.26 19.11 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.696 -0.854 . . . . 0.0 108.696 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.489 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.806 0.336 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -59.08 -37.16 76.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.75 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 5' ' ' VAL . . . -59.49 -25.41 64.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.569 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -50.71 -14.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.95 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 3' ' ' ALA . 19.1 m -59.62 -39.31 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.409 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.581 ' O ' ' OG ' ' A' ' 9' ' ' SER . 2.9 m-20 -60.84 -41.11 95.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.569 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 21.6 p -63.48 -29.66 70.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.973 178.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -48.27 -37.05 15.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.295 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.581 ' OG ' ' O ' ' A' ' 6' ' ' ASP . 0.2 OUTLIER -50.0 -30.87 11.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.68 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.48 -24.64 66.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.21 86.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.642 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -168.67 35.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.473 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 p -78.69 -53.29 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.558 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -72.31 -32.16 66.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.13 -33.29 71.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.941 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.68 -28.93 36.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.677 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -35.94 78.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -67.55 -34.68 77.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.199 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -73.08 -42.4 63.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.09 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -59.39 -32.7 70.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.022 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.12 -45.79 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.771 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -59.61 -33.64 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.276 -179.666 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.468 ' N ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -58.56 -21.91 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.382 -179.193 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -49.03 -37.53 20.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.356 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.29 -14.85 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.084 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.399 179.872 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.748 0.308 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -48.02 -32.48 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.017 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.38 -26.88 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.124 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.424 ' C ' ' HG1' ' A' ' 7' ' ' THR . . . -49.13 -26.54 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.371 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 t -59.45 -37.98 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.843 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.52 ' O ' ' OG ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -59.84 -39.2 84.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.764 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.424 ' HG1' ' C ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER -62.05 -37.48 85.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.061 178.505 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.472 ' HA ' ' HG1' ' A' ' 12' ' ' THR . 44.9 t -55.32 -23.25 22.57 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.133 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.52 ' OG ' ' O ' ' A' ' 6' ' ' ASP . 3.8 m -49.86 -24.51 2.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.739 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.28 -42.17 75.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.73 ' CG2' ' H ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -177.25 -109.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.685 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.73 ' H ' ' CG2' ' A' ' 11' ' ' ILE . 15.5 p 55.12 43.49 29.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.505 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.04 -56.28 9.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.326 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -71.51 -31.3 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.156 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -34.62 75.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.798 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.72 -29.11 37.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.45 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -65.31 -45.21 85.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.428 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -55.85 -44.73 78.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.161 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 10.1 mttt -71.56 -28.39 63.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.97 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -29.85 65.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.495 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.14 -33.85 76.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.563 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 2.8 m -59.31 -26.98 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.624 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.465 ' N ' HG23 ' A' ' 22' ' ' VAL . 97.0 t -53.22 -17.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.136 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 26' ' ' ALA . 1.3 mm-40 -50.55 -37.31 38.79 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.3 -18.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.653 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.847 0.356 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -50.19 -36.84 32.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.48 -19.22 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.979 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.522 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -50.52 -21.12 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.147 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 6' ' ' ASP . 8.5 p -58.91 -38.53 73.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.125 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.411 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 3.5 t0 -59.91 -39.08 84.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -61.48 -36.62 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.64 178.53 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -41.87 -23.94 0.04 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.239 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 7' ' ' THR . 22.4 p -54.69 -34.34 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.321 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.572 ' O ' ' CG2' ' A' ' 11' ' ' ILE . 9.9 tt0 -59.54 -16.59 25.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.463 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.572 ' CG2' ' O ' ' A' ' 10' ' ' GLU . 3.0 tp 94.37 148.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.557 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -105.95 8.82 32.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.456 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.0 m -68.21 -57.02 6.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.331 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -67.01 -34.17 77.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.004 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.541 ' OD2' ' OE1' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -60.74 -34.18 74.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -29.08 42.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -55.37 -32.23 62.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.269 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.541 ' OE1' ' OD2' ' A' ' 15' ' ' ASP . 4.7 mt-10 -54.66 -38.43 66.9 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -66.76 -33.59 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.736 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.83 -36.74 73.05 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 38.3 mt-10 -54.99 -34.3 63.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.148 179.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -34.91 46.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.192 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 25.8 t -59.3 -20.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.451 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 26.7 mt-10 -55.25 -37.62 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.371 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.39 -14.62 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.812 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.524 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.798 0.332 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.573 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -50.78 -34.43 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.513 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.4 -18.75 41.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -44.92 -29.1 0.75 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.004 0.431 . . . . 0.0 110.123 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.569 ' O ' ' OG ' ' A' ' 8' ' ' SER . 6.3 p -42.96 -32.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.733 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.468 ' N ' HG12 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -58.39 -39.61 80.14 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 4' ' ' ALA . 32.0 m -62.21 -36.93 83.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.234 177.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.569 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 16.9 p -58.09 -19.0 28.68 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 p -64.47 -30.33 71.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.037 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.673 ' O ' ' N ' ' A' ' 12' ' ' THR . 20.3 tt0 -68.94 -34.02 74.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.878 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.622 ' O ' ' CG2' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -20.19 79.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.509 -179.706 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.673 ' N ' ' O ' ' A' ' 10' ' ' GLU . 1.7 t -160.62 -49.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.132 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.604 ' N ' ' CG2' ' A' ' 12' ' ' THR . 1.0 OUTLIER -74.67 -27.58 60.48 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.73 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.87 -42.42 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.673 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.43 -37.48 72.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -29.72 45.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.724 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -36.16 74.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.797 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -58.16 -41.59 84.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.511 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' HZ2' ' HG2' ' A' ' 19' ' ' LYS . 12.9 mtpp -67.43 -43.96 79.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.468 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -30.14 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.132 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.21 -35.21 73.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.428 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.17 -27.17 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.667 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.7 t -54.85 -33.3 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.526 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.52 -37.62 57.89 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -53.94 -17.14 2.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.653 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.514 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.056 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -29.44 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.528 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 61.2 t0 -58.87 -36.36 74.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' A' ' 5' ' ' VAL . . . -56.02 -21.0 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.87 -14.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.637 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.47 ' H ' ' C ' ' A' ' 3' ' ' ALA . 2.1 p -56.58 -38.9 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.541 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.43 -40.11 89.89 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.639 ' O ' ' N ' ' A' ' 9' ' ' SER . 96.0 m -62.58 -35.95 81.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.608 178.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -41.33 -14.59 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.433 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -54.07 -41.23 67.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.759 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -9.48 52.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.639 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.2 mm 64.08 81.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.664 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.94 -36.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.8 -39.83 8.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -75.39 -35.64 61.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.367 179.127 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -54.31 -33.09 58.06 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.986 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.14 -30.13 35.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -70.03 -46.46 65.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.762 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.76 -43.45 84.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.581 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 9.4 tttp -56.58 -35.15 67.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.965 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 7.3 tptp -75.6 -36.51 60.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -43.32 85.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' GLU . 15.5 m -60.9 -25.36 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.832 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 20' ' ' LYS . 2.7 p -43.35 -30.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.0 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -37.19 76.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.768 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 28' ' ' ASN . 8.1 tp10 -57.98 -14.61 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.813 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 28' ' ' ASN . . . -42.69 -26.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.313 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 25' ' ' GLU . 31.8 mt-10 -70.78 4.73 2.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.178 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.558 ' N ' ' O ' ' A' ' 25' ' ' GLU . 2.6 t-20 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.59 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m -62.63 -19.48 63.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.353 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -54.92 -37.49 66.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.462 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.47 -27.81 66.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.592 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -47.06 -34.45 5.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.29 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.7 m -41.08 -32.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.966 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -54.68 -40.83 69.49 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.592 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 40.4 p -63.65 -36.98 85.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.434 177.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m -56.92 -33.47 67.0 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.076 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.29 -40.94 75.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.787 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.03 -21.97 59.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.666 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.0 mt -94.31 108.1 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.722 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.0 28.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 78.1 m -68.04 -50.85 52.76 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.709 ' CD ' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.44 -30.86 69.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.803 179.25 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -29.73 68.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.98 -29.19 41.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.42 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HG2' ' HZ3' ' A' ' 17' ' ' LYS . 37.9 mttm -60.46 -49.15 78.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.017 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -64.53 -45.71 86.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.732 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.446 ' CB ' ' HZ2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -60.71 -36.61 79.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.72 179.29 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.62 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 17.2 ttmt -65.7 -40.91 92.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.055 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -56.73 -43.04 80.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.069 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.29 -22.39 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.358 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.62 ' CG1' ' O ' ' A' ' 20' ' ' LYS . 3.0 p -52.6 -23.41 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.44 -37.14 36.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 109.813 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.525 ' O ' ' OXT' ' A' ' 28' ' ' ASN . 40.4 tt0 -55.35 -15.14 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.606 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -61.74 -25.91 67.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.971 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.61 -11.49 60.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.27 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.525 ' OXT' ' O ' ' A' ' 25' ' ' GLU . 1.1 t-20 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.412 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.499 ' C ' ' H ' ' A' ' 2' ' ' ASP . . . . . . . . 0 C--O 1.232 0.157 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.16 2.97 0.47 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.909 0.385 . . . . 0.0 110.422 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 0' ' ' ACE . 0.0 OUTLIER -54.09 -37.14 63.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.009 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.22 -25.98 64.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.455 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -55.84 -26.39 46.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.12 -39.14 77.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.457 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -60.28 -40.76 91.59 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 7.1 p -63.2 -36.95 85.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.81 178.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 t -47.58 -23.7 0.72 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.395 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -41.04 71.34 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.816 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.04 -14.53 62.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.707 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 pt -146.44 99.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.978 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.33 -66.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.151 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -48.55 -42.14 32.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.887 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -74.66 -34.94 62.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.088 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -30.95 69.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.133 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mt -53.24 -28.58 28.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -67.51 -32.12 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.457 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.89 -30.13 71.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.984 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -67.57 -41.13 84.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.112 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 26.7 mmtm -72.54 -29.6 63.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 109.943 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.25 -38.33 71.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.324 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.88 -41.1 87.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.855 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 20' ' ' LYS . 7.1 m -62.4 -37.46 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.591 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -49.69 -38.29 32.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.651 ' O ' ' N ' ' A' ' 28' ' ' ASN . 27.1 tt0 -59.35 -14.36 11.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -39.42 -32.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.437 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.55 -28.98 46.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.525 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.651 ' N ' ' O ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.668 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.582 ' C ' ' H ' ' A' ' 2' ' ' ASP . . . . . . . . 0 C--O 1.232 0.16 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.77 -35.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.634 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.582 ' H ' ' C ' ' A' ' 0' ' ' ACE . 0.2 OUTLIER -49.61 -36.29 23.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.478 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 5' ' ' VAL . . . -57.21 -25.03 58.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -45.2 -14.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.337 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.589 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.5 t -41.03 -37.3 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -59.83 -40.56 88.91 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.676 ' N ' ' O ' ' A' ' 4' ' ' ALA . 26.6 p -63.19 -20.39 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.575 177.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.589 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 78.5 p -36.82 -22.48 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.775 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.674 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -50.25 -47.13 55.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.57 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 4.3 mt-10 -69.77 3.14 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.115 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.6 ' O ' ' CB ' ' A' ' 12' ' ' THR . 4.4 pt 54.65 -155.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.05 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.6 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.4 m 89.13 -14.02 0.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.191 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.2 m -59.12 -48.08 82.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.309 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -68.15 -37.24 80.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.946 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.81 -34.6 67.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.646 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -29.64 42.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.217 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -69.42 -38.61 77.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.334 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -37.99 58.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.027 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -73.41 -31.6 63.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.435 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -74.57 -32.17 62.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.417 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.529 ' O ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -69.64 -39.82 76.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.375 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 23' ' ' VAL . 2.1 p -60.01 -27.14 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.522 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 16.0 t -52.66 -37.58 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.521 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.5 -39.63 84.41 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.556 ' OE1' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -60.95 -14.3 21.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 109.662 179.15 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -42.9 -34.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.708 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.521 ' O ' ' OXT' ' A' ' 28' ' ' ASN . 25.0 pt-20 -52.82 -9.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.532 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.521 ' OXT' ' O ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.2 -26.92 0.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.831 0.348 . . . . 0.0 110.476 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -59.23 -33.95 71.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.686 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.412 ' O ' ' OD2' ' A' ' 6' ' ' ASP . . . -57.78 -19.77 30.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.737 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.15 -19.32 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -59.46 -38.2 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.563 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.412 ' OD2' ' O ' ' A' ' 3' ' ' ALA . 7.8 m-20 -59.56 -40.37 87.13 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -62.51 -36.59 83.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.229 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 10' ' ' GLU . 3.9 t -47.7 -25.91 1.37 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.774 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.34 -20.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.071 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 8' ' ' SER . 0.6 OUTLIER -69.51 -43.55 72.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.405 179.683 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' SER . 3.4 pt -129.94 129.49 65.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.42 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.9 p -122.07 16.46 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.751 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.547 ' HG1' ' N ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -65.31 -50.48 65.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.686 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.547 ' N ' ' HG1' ' A' ' 13' ' ' THR . 21.9 mttt -66.02 -37.17 85.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.254 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.67 -31.27 72.39 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 tp -54.25 -28.73 43.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.439 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -52.22 -43.18 64.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.612 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -40.89 86.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.568 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 28.5 mttp -69.33 -33.08 72.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.377 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -73.95 -29.62 62.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.985 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -66.49 -45.29 80.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 3.7 m -60.34 -30.67 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.821 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 74.7 t -52.12 -33.88 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -49.85 -37.74 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.554 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 3.4 mt-10 -58.36 -13.76 6.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.532 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -60.74 -45.09 95.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.892 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.5 -37.78 82.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.824 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.698 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.567 ' O ' ' OG ' ' A' ' 1' ' ' SER . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.679 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 6.3 p 84.64 -75.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.639 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.679 ' N ' ' OG ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -48.86 -34.24 12.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.537 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.16 -21.94 25.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.537 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.7 -34.23 69.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.329 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.421 ' HA ' ' HG ' ' A' ' 8' ' ' SER . 11.9 t -58.38 -38.18 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.39 -38.51 80.7 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.6 m -60.62 -37.11 80.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.144 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.421 ' HG ' ' HA ' ' A' ' 5' ' ' VAL . 4.2 m -57.23 -21.91 37.25 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.886 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -53.03 -25.5 12.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.334 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.96 -39.57 71.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.127 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.529 ' CG2' ' H ' ' A' ' 12' ' ' THR . 3.3 mm -111.04 -161.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.7 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.529 ' H ' ' CG2' ' A' ' 11' ' ' ILE . 68.5 p 46.12 21.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.383 . . . . 0.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -63.24 -43.82 96.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.303 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -37.56 76.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.099 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.29 -33.03 74.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.26 -28.27 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.954 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -47.88 -32.88 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.438 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 18' ' ' GLU . 1.1 mp0 -65.42 -39.77 92.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.318 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.425 ' O ' ' CG1' ' A' ' 22' ' ' VAL . 16.4 mttp -64.62 -46.57 82.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.473 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -39.26 93.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.941 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' O ' ' CD ' ' A' ' 24' ' ' GLU . 2.1 tp10 -56.64 -32.8 65.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.819 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -58.38 -20.75 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.146 179.67 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.5 p -41.92 -22.18 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.241 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.556 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 1.3 mp0 -49.88 -36.24 26.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.772 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -53.09 -17.52 1.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . -61.55 -21.05 63.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.43 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -62.24 -16.34 52.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.387 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.726 -179.924 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.588 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 1.7 t 44.25 -99.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.611 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.588 ' N ' ' OG ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -47.74 -32.0 5.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.584 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.99 -24.42 58.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.182 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.677 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -58.94 -13.65 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.478 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 6' ' ' ASP . 2.6 p -41.11 -38.86 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.482 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 7.5 t0 -60.58 -39.47 88.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.677 ' N ' ' O ' ' A' ' 4' ' ' ALA . 28.0 m -62.27 -38.12 88.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.81 178.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -16.21 0.12 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.575 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 7' ' ' THR . 25.1 m -52.2 -18.13 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.301 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.719 ' C ' ' H ' ' A' ' 12' ' ' THR . 1.1 mm-40 -65.99 -24.75 66.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.161 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 10' ' ' GLU . 20.8 tt 48.08 -3.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.583 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.719 ' H ' ' C ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -65.76 -32.84 74.61 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.201 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.82 -31.2 71.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.915 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -73.2 -41.47 63.76 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.02 -37.58 71.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.23 -30.14 59.42 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.458 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -40.15 73.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.268 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -57.32 -40.15 77.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.221 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 10.8 tttt -72.86 -38.55 67.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.977 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -70.53 -29.49 65.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.55 -41.34 97.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.194 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.472 HG21 ' N ' ' A' ' 23' ' ' VAL . 7.0 m -59.34 -28.18 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.248 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.472 ' N ' HG21 ' A' ' 22' ' ' VAL . 94.9 t -59.05 -37.19 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.111 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.563 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 2.7 mt-10 -56.89 -37.49 71.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.937 0.399 . . . . 0.0 110.141 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 25' ' ' GLU . 52.1 mt-10 -57.65 -14.51 5.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.661 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 28' ' ' ASN . . . -58.33 -44.06 88.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.168 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.563 ' OE1' ' O ' ' A' ' 24' ' ' GLU . 2.6 mt-10 -68.52 5.65 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.86 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.463 ' H ' ' C ' ' A' ' 26' ' ' ALA . 6.5 m120 . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.583 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.704 ' O ' ' N ' ' A' ' 2' ' ' ASP . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 0' ' ' ACE . 0.3 OUTLIER 36.27 -82.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.237 0.336 . . . . 0.0 110.576 . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.704 ' N ' ' O ' ' A' ' 0' ' ' ACE . 0.3 OUTLIER -52.18 -36.77 52.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -50.3 -28.01 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.997 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.01 -22.33 0.2 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.188 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' A' ' 8' ' ' SER . 4.0 t -50.07 -37.84 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.57 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -38.9 82.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.2 m -60.83 -34.76 75.06 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 1.6 m -42.95 -30.08 0.38 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.722 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 p -53.21 -46.67 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.999 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.589 ' O ' ' O ' ' A' ' 11' ' ' ILE . 2.3 mm-40 -61.94 -11.05 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.874 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.664 ' O ' ' CB ' ' A' ' 12' ' ' THR . 23.2 pt 38.43 -172.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.272 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.664 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 91.8 m 123.47 -4.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.188 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -49.02 12.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.089 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HZ2' ' HG3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -73.99 -33.48 63.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.097 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -57.31 -36.9 71.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.197 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -30.94 47.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.433 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -70.6 -33.19 70.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.407 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.552 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 4.0 tp10 -60.72 -33.83 73.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.153 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -62.33 -41.82 98.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.056 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.479 ' HD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.25 -50.89 50.81 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.879 179.642 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.84 -36.12 82.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.687 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.552 ' CG2' ' O ' ' A' ' 18' ' ' GLU . 6.3 t -59.9 -34.21 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.019 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.4 t -46.44 -28.58 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.599 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.41 -37.95 79.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.471 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -59.19 -14.33 10.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.043 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.661 ' C ' ' H ' ' A' ' 28' ' ' ASN . . . -61.22 -27.15 68.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.505 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -46.95 -7.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.33 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.661 ' H ' ' C ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.489 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 t -50.02 -61.49 2.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.971 0.415 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -37.16 78.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.651 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.436 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -54.37 -25.38 24.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -45.85 -20.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 3' ' ' ALA . 8.7 p -49.81 -37.55 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.979 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' A' ' 7' ' ' THR . 6.1 p30 -57.3 -39.65 76.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.643 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 57.1 m -61.92 -36.63 81.93 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 t -50.52 -37.31 38.45 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.587 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.27 -21.57 1.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.445 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.99 -36.78 78.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.609 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 tt -83.84 22.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.505 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.7 m -95.06 -11.94 27.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.986 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.0 m -55.63 -49.18 73.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.973 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -73.55 -32.53 64.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -66.02 -27.42 68.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.98 -30.55 35.73 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -70.63 -40.07 73.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.843 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -68.72 -43.01 76.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.358 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.479 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 6.6 tptp -60.46 -38.54 84.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.946 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.482 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 6.9 ttpt -73.94 -30.01 62.33 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.91 -31.25 68.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.898 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 3.4 m -52.52 -31.78 16.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.083 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 20' ' ' LYS . 3.9 m -59.03 -37.28 66.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.942 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.46 ' N ' HG22 ' A' ' 23' ' ' VAL . 9.5 mm-40 -59.79 -37.0 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -16.72 4.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.529 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -51.23 -38.53 52.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.62 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -61.84 -32.39 72.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.479 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.63 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 4' ' ' ALA . 11.3 t -109.3 -79.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.348 . . . . 0.0 110.456 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 46.3 t0 -48.22 -37.38 15.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.16 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.333 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.651 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -53.01 -21.03 3.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.46 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 6' ' ' ASP . 13.9 p -43.79 -38.36 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.434 ' N ' HG13 ' A' ' 5' ' ' VAL . 55.9 m-20 -60.07 -38.4 82.75 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.651 ' N ' ' O ' ' A' ' 4' ' ' ALA . 0.2 OUTLIER -60.95 -37.59 82.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.25 178.347 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.5 t -44.54 -17.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.231 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 7' ' ' THR . 66.7 m -51.21 -41.11 60.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.205 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.22 -2.37 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.942 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' SER . 3.3 mp 62.47 67.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -119.09 18.61 13.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.176 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.458 ' H ' ' HG1' ' A' ' 13' ' ' THR . 0.2 OUTLIER -71.78 -46.95 56.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.513 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.95 -38.87 89.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.024 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 24.8 m-20 -61.19 -35.33 76.86 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.53 -27.09 35.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.867 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.7 -34.45 12.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.916 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -71.51 -37.04 71.26 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.209 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -36.68 64.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.316 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -30.09 71.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.017 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.4 -46.22 89.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.013 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 23' ' ' VAL . 1.3 m -59.77 -34.4 55.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.945 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.483 ' N ' HG22 ' A' ' 22' ' ' VAL . 92.0 t -59.67 -24.96 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 110.437 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 26' ' ' ALA . 9.3 tt0 -51.53 -38.15 52.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.017 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.26 -14.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -66.8 -33.48 75.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.322 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.08 -14.38 54.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.244 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.649 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m -122.66 -87.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -37.32 14.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -59.31 -14.53 11.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.779 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.6 -19.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.58 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.432 ' CG2' ' N ' ' A' ' 6' ' ' ASP . 5.3 m -59.23 -39.63 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.432 ' N ' ' CG2' ' A' ' 5' ' ' VAL . 32.0 t0 -61.49 -39.96 92.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.9 m -62.34 -37.61 86.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.933 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 p -57.66 -18.29 19.65 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.699 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 p -57.61 -36.34 71.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.548 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.71 -26.96 67.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.285 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.507 ' O ' ' CG2' ' A' ' 11' ' ' ILE . 2.4 tt -144.53 87.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.381 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -68.1 -19.29 64.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.384 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.499 ' H ' ' HG1' ' A' ' 13' ' ' THR . 0.0 OUTLIER -55.82 -36.19 67.2 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.972 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HZ3' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -74.71 -37.84 62.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.328 179.679 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.37 -40.49 68.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tp -53.98 -29.82 44.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.894 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -36.04 78.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.579 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.56 -44.3 91.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.691 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 7.5 mttp -69.93 -41.09 75.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.039 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -62.58 -29.95 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.792 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -55.13 -40.76 70.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.671 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 23' ' ' VAL . 4.7 m -49.04 -35.32 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.442 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -59.08 -24.11 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.901 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' N ' ' A' ' 26' ' ' ALA . 2.4 tp10 -49.22 -37.74 24.09 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.818 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -49.26 -19.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . -69.81 -36.38 75.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.551 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.63 -27.6 64.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.614 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 28' ' ' ASN . 5.7 p-10 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.602 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.03 -14.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.679 0.276 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.71 -37.58 63.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.816 0.341 . . . . 0.0 110.636 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.5 -22.86 62.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.595 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.582 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -49.29 -27.27 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 6' ' ' ASP . 12.4 p -43.74 -37.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.44 ' N ' HG12 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -59.89 -40.52 89.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.356 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.582 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 43.4 p -63.3 -37.58 87.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.11 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.507 ' N ' ' HG1' ' A' ' 7' ' ' THR . 36.7 m -57.41 -15.22 6.1 Favored 'General case' 0 N--CA 1.46 0.042 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.74 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.9 p -57.68 -8.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.016 0.436 . . . . 0.0 110.085 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 8' ' ' SER . 7.2 pt-20 -69.02 -41.81 77.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 8' ' ' SER . 4.8 pt -76.71 49.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.742 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.9 p -117.4 -27.05 6.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.457 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -35.58 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.391 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -73.99 -37.57 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.114 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -32.65 73.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.22 -29.25 45.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.362 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -62.75 -33.8 75.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.648 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -52.56 40.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -64.41 -36.21 83.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.368 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.507 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -63.79 -35.22 79.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.23 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -56.19 -39.33 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.235 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 t -59.13 -28.05 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.772 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' A' ' 20' ' ' LYS . 3.3 p -50.53 -36.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.552 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' N ' HG13 ' A' ' 23' ' ' VAL . 24.9 mt-10 -52.2 -37.96 56.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.955 0.407 . . . . 0.0 109.999 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.38 -14.21 4.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.068 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.32 -31.53 33.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.494 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.572 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -62.41 -5.5 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.572 ' OD1' ' O ' ' A' ' 27' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.67 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.94 -3.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.778 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.12 -38.03 67.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.72 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.76 -15.71 22.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.596 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -58.38 -21.08 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.513 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.3 m -59.82 -39.15 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -41.33 97.2 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.596 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 80.9 p -63.1 -36.6 84.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.414 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.419 ' C ' ' N ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -45.47 -16.17 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.476 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -48.42 -17.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.558 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 11' ' ' ILE . 2.4 tt0 -69.49 -34.07 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.661 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER 31.38 -103.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.508 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.586 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.1 OUTLIER -150.95 44.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.715 -179.836 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.9 m -86.65 -50.59 6.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.7 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -74.17 -32.13 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.92 -33.75 74.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.175 0.512 . . . . 0.0 109.893 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tp -54.31 -29.04 46.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.859 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -59.87 -46.93 87.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.323 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.82 -38.52 91.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.861 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -37.93 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.031 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -62.89 -32.95 74.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.041 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -60.51 -34.72 74.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.113 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.419 ' C ' ' N ' ' A' ' 24' ' ' GLU . 66.6 t -57.55 -25.0 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.038 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 2.5 p -49.93 -16.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.241 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 22' ' ' VAL . 9.9 mt-10 -49.59 -37.41 27.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.002 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.74 -14.89 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.625 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -62.34 -29.91 70.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.391 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -68.37 -31.94 71.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.278 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 26' ' ' ALA . 51.0 m-80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.454 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -130.05 -56.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.016 0.436 . . . . 0.0 110.717 . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.537 ' O ' ' CG2' ' A' ' 5' ' ' VAL . 1.5 m-20 -50.42 -36.36 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.63 -34.75 62.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.003 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.579 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -59.77 -15.4 20.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.416 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 2' ' ' ASP . 71.5 t -57.01 -38.64 61.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.596 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.54 -41.3 94.19 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.446 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.579 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 41.9 p -63.73 -37.26 86.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.794 178.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.439 ' O ' ' CG2' ' A' ' 11' ' ' ILE . 1.3 p -48.37 -17.35 0.14 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.889 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 7' ' ' THR . 43.5 t -68.04 -33.71 75.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.611 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.612 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.6 mt-10 -69.16 -12.28 61.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.439 ' CG2' ' O ' ' A' ' 8' ' ' SER . 1.6 tt -66.63 24.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.027 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.612 ' H ' ' C ' ' A' ' 10' ' ' GLU . 15.2 p -135.35 -7.27 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.144 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 t -50.72 -44.1 58.14 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.218 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -36.68 64.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.225 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -54.78 -40.45 69.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -55.01 -30.39 59.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.29 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -69.21 -54.84 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.022 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.68 -38.16 74.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.984 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 1.9 tptp -73.34 -28.64 62.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.595 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -74.8 -31.42 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.264 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -63.71 -34.93 78.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.324 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 25' ' ' GLU . 2.5 m -59.54 -19.97 17.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.797 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.8 t -42.08 -32.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.903 0.382 . . . . 0.0 110.151 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.68 -37.34 75.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.859 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 22' ' ' VAL . 4.0 tt0 -56.38 -16.14 5.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.721 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.74 -47.63 62.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.816 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -79.48 -36.68 38.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.194 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.687 -179.694 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.408 ' O ' ' CB ' ' A' ' 1' ' ' SER . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 0' ' ' ACE . 1.0 OUTLIER 75.38 -3.19 2.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.774 0.321 . . . . 0.0 110.549 . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -48.88 -37.43 19.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.258 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.87 -26.26 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.837 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.6 77.16 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.732 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 t -61.7 -40.11 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.482 ' C ' ' OD1' ' A' ' 6' ' ' ASP . 4.4 t0 -60.89 -38.87 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.5 ' C ' ' H ' ' A' ' 9' ' ' SER . 22.1 m -61.08 -34.99 75.79 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.146 178.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 11' ' ' ILE . 4.5 m -47.16 -15.03 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.099 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.5 ' H ' ' C ' ' A' ' 7' ' ' THR . 83.7 p -48.91 -42.6 37.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.162 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' C ' ' CG2' ' A' ' 11' ' ' ILE . 1.3 mp0 -69.78 -0.25 6.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.334 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.522 ' CG1' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER 57.38 115.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.287 -179.327 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -149.04 41.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.089 -179.639 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.56 ' CG2' ' N ' ' A' ' 14' ' ' LYS . 14.8 t -50.25 -52.09 39.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.924 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' N ' ' CG2' ' A' ' 13' ' ' THR . 10.4 ttmt -73.42 -32.37 64.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.482 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -33.94 74.52 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -54.88 -29.3 55.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.636 178.855 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -53.83 -46.72 71.25 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.951 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.26 -46.12 89.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.839 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -71.54 -28.42 63.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -71.84 -34.19 69.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.385 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.24 -36.43 84.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.202 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.454 ' C ' ' N ' ' A' ' 24' ' ' GLU . 44.0 t -59.11 -25.8 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.544 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 4.1 p -45.32 -18.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.462 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 22' ' ' VAL . 5.0 mm-40 -51.16 -37.36 45.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.168 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -56.39 -14.86 3.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.761 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 28' ' ' ASN . . . -56.92 -25.36 57.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.356 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.633 ' C ' ' ND2' ' A' ' 28' ' ' ASN . 9.0 mt-10 -76.85 -24.48 52.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.437 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.633 ' ND2' ' C ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.624 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.413 ' C ' ' H ' ' A' ' 2' ' ' ASP . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p 57.4 8.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 0' ' ' ACE . 1.1 m-20 -52.6 -37.23 57.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.267 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.574 ' O ' ' OD2' ' A' ' 6' ' ' ASP . . . -59.61 -29.75 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.67 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.65 -26.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.506 ' O ' ' OG ' ' A' ' 8' ' ' SER . 50.1 t -59.76 -38.5 76.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.728 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.686 ' OD1' ' N ' ' A' ' 7' ' ' THR . 2.8 p30 -60.06 -39.83 87.36 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.686 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 1.0 OUTLIER -61.69 -34.94 76.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.064 178.28 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 10.3 p -44.81 -16.72 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.318 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 7' ' ' THR . 8.8 m -48.34 -27.03 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.897 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' A' ' 12' ' ' THR . 2.1 mt-10 -56.06 -25.27 44.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.266 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.45 ' C ' ' H ' ' A' ' 13' ' ' THR . 14.8 mt 66.05 -41.66 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.047 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.531 ' H ' ' C ' ' A' ' 10' ' ' GLU . 3.8 t -73.1 6.39 2.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.982 0.42 . . . . 0.0 109.907 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.45 ' H ' ' C ' ' A' ' 11' ' ' ILE . 96.1 m -78.0 -40.98 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.889 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -75.1 -35.19 61.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.671 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -40.77 66.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -30.16 70.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.845 178.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -58.73 -36.31 74.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.098 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -57.98 -47.0 84.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.771 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -35.88 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.357 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -72.02 -29.9 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.038 179.594 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 3.3 tt0 -64.87 -41.04 95.98 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.649 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.4 t -59.5 -36.05 62.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.028 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.486 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 62.1 t -56.37 -29.38 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.39 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.619 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 9.0 mp0 -49.91 -38.71 37.25 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.654 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.39 -22.26 19.11 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.696 -0.854 . . . . 0.0 108.696 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.657 ' C ' ' H ' ' A' ' 28' ' ' ASN . . . -70.21 -36.87 74.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.489 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -54.85 0.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.473 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.657 ' H ' ' C ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.494 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.3 m -94.53 -33.24 13.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -59.08 -37.16 76.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.75 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 5' ' ' VAL . . . -59.49 -25.41 64.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.569 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -50.71 -14.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.95 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 3' ' ' ALA . 19.1 m -59.62 -39.31 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.409 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.581 ' O ' ' OG ' ' A' ' 9' ' ' SER . 2.9 m-20 -60.84 -41.11 95.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.569 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 21.6 p -63.48 -29.66 70.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.973 178.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -48.27 -37.05 15.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.295 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.581 ' OG ' ' O ' ' A' ' 6' ' ' ASP . 0.2 OUTLIER -50.0 -30.87 11.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.68 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.48 -24.64 66.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.21 86.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.642 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -168.67 35.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.473 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 p -78.69 -53.29 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.558 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -72.31 -32.16 66.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.13 -33.29 71.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.941 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.68 -28.93 36.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.677 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -35.94 78.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -67.55 -34.68 77.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.199 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -73.08 -42.4 63.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.09 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -59.39 -32.7 70.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.022 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.12 -45.79 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.771 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -59.61 -33.64 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.276 -179.666 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.468 ' N ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -58.56 -21.91 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.382 -179.193 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -49.03 -37.53 20.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.356 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.29 -14.85 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.084 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.419 ' C ' ' H ' ' A' ' 28' ' ' ASN . . . -66.82 -19.29 65.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.399 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.661 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -64.24 -3.09 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.329 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' A' ' 26' ' ' ALA . 27.4 t-20 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.626 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.9 p -159.1 -89.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.308 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -48.02 -32.48 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.017 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.38 -26.88 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.124 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.424 ' C ' ' HG1' ' A' ' 7' ' ' THR . . . -49.13 -26.54 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.371 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 t -59.45 -37.98 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.843 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.52 ' O ' ' OG ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -59.84 -39.2 84.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.764 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.424 ' HG1' ' C ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER -62.05 -37.48 85.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.061 178.505 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.472 ' HA ' ' HG1' ' A' ' 12' ' ' THR . 44.9 t -55.32 -23.25 22.57 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.133 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.52 ' OG ' ' O ' ' A' ' 6' ' ' ASP . 3.8 m -49.86 -24.51 2.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.739 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.28 -42.17 75.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.73 ' CG2' ' H ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -177.25 -109.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.685 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.73 ' H ' ' CG2' ' A' ' 11' ' ' ILE . 15.5 p 55.12 43.49 29.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.505 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.04 -56.28 9.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.326 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -71.51 -31.3 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.156 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -34.62 75.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.798 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.72 -29.11 37.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.45 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -65.31 -45.21 85.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.428 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -55.85 -44.73 78.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.161 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 10.1 mttt -71.56 -28.39 63.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.97 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -29.85 65.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.495 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.14 -33.85 76.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.563 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 2.8 m -59.31 -26.98 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.624 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.465 ' N ' HG23 ' A' ' 22' ' ' VAL . 97.0 t -53.22 -17.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.136 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 26' ' ' ALA . 1.3 mm-40 -50.55 -37.31 38.79 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.3 -18.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.653 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . -66.61 -27.42 67.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 28' ' ' ASN . 2.6 mt-10 -78.9 -1.48 35.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.606 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.526 ' C ' ' O ' ' A' ' 27' ' ' GLU . 16.0 p30 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.553 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.553 ' C ' ' H ' ' A' ' 2' ' ' ASP . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.9 t 70.6 -37.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' A' ' 0' ' ' ACE . 4.0 t0 -50.19 -36.84 32.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.48 -19.22 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.979 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.522 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -50.52 -21.12 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.147 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 6' ' ' ASP . 8.5 p -58.91 -38.53 73.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.125 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.411 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 3.5 t0 -59.91 -39.08 84.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -61.48 -36.62 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.64 178.53 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -41.87 -23.94 0.04 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.239 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 7' ' ' THR . 22.4 p -54.69 -34.34 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.321 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.572 ' O ' ' CG2' ' A' ' 11' ' ' ILE . 9.9 tt0 -59.54 -16.59 25.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.463 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.572 ' CG2' ' O ' ' A' ' 10' ' ' GLU . 3.0 tp 94.37 148.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.557 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -105.95 8.82 32.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.456 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.0 m -68.21 -57.02 6.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.331 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -67.01 -34.17 77.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.004 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.541 ' OD2' ' OE1' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -60.74 -34.18 74.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -29.08 42.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -55.37 -32.23 62.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.269 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.541 ' OE1' ' OD2' ' A' ' 15' ' ' ASP . 4.7 mt-10 -54.66 -38.43 66.9 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -66.76 -33.59 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.736 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.83 -36.74 73.05 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 38.3 mt-10 -54.99 -34.3 63.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.148 179.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -34.91 46.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.192 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 25.8 t -59.3 -20.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.451 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 26.7 mt-10 -55.25 -37.62 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.371 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.39 -14.62 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.812 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -57.35 -29.97 64.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.524 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.494 ' O ' ' OXT' ' A' ' 28' ' ' ASN . 0.7 OUTLIER -72.0 -30.89 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.421 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.494 ' OXT' ' O ' ' A' ' 27' ' ' GLU . 65.3 t30 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.531 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 t -159.94 -91.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.573 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -50.78 -34.43 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.513 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.4 -18.75 41.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -44.92 -29.1 0.75 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.004 0.431 . . . . 0.0 110.123 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.569 ' O ' ' OG ' ' A' ' 8' ' ' SER . 6.3 p -42.96 -32.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.733 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.468 ' N ' HG12 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -58.39 -39.61 80.14 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 4' ' ' ALA . 32.0 m -62.21 -36.93 83.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.234 177.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.569 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 16.9 p -58.09 -19.0 28.68 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 p -64.47 -30.33 71.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.037 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.673 ' O ' ' N ' ' A' ' 12' ' ' THR . 20.3 tt0 -68.94 -34.02 74.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.878 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.622 ' O ' ' CG2' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -20.19 79.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.509 -179.706 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.673 ' N ' ' O ' ' A' ' 10' ' ' GLU . 1.7 t -160.62 -49.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.132 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.604 ' N ' ' CG2' ' A' ' 12' ' ' THR . 1.0 OUTLIER -74.67 -27.58 60.48 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.73 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.87 -42.42 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.673 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.43 -37.48 72.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -29.72 45.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.724 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -36.16 74.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.797 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -58.16 -41.59 84.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.511 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' HZ2' ' HG2' ' A' ' 19' ' ' LYS . 12.9 mtpp -67.43 -43.96 79.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.468 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -30.14 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.132 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.21 -35.21 73.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.428 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.17 -27.17 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.667 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.7 t -54.85 -33.3 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.526 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.52 -37.62 57.89 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.485 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 81.0 mt-10 -53.94 -17.14 2.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.653 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.99 -34.41 56.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.514 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -48.23 -20.52 0.39 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.486 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.485 ' OD1' ' O ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.668 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.839 0.352 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 61.2 t0 -58.87 -36.36 74.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.45 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -56.02 -21.0 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.87 -14.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.637 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.45 ' N ' ' C ' ' A' ' 3' ' ' ALA . 2.1 p -56.58 -38.9 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.541 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.43 -40.11 89.89 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.639 ' O ' ' N ' ' A' ' 9' ' ' SER . 96.0 m -62.58 -35.95 81.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.608 178.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -41.33 -14.59 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.433 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -54.07 -41.23 67.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.759 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -9.48 52.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.639 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.2 mm 64.08 81.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.664 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.94 -36.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.8 -39.83 8.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -75.39 -35.64 61.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.367 179.127 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -54.31 -33.09 58.06 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.986 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.14 -30.13 35.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -70.03 -46.46 65.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.762 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 22' ' ' VAL . 35.1 tt0 -66.76 -43.45 84.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.581 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.421 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 9.4 tttp -56.58 -35.15 67.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.965 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' O ' HG12 ' A' ' 23' ' ' VAL . 7.3 tptp -75.6 -36.51 60.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -43.32 85.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' GLU . 15.5 m -60.9 -25.36 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.832 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 20' ' ' LYS . 2.7 p -43.35 -30.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.0 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -37.19 76.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.768 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' VAL . 8.1 tp10 -57.98 -14.61 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.813 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.313 179.783 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.842 0.353 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.718 ' O ' HG13 ' A' ' 5' ' ' VAL . 3.0 m-20 -54.92 -37.49 66.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.462 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.47 -27.81 66.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.578 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -47.06 -34.45 5.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.29 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 2' ' ' ASP . 29.7 m -41.08 -32.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.966 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -54.68 -40.83 69.49 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 40.4 p -63.65 -36.98 85.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.434 177.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m -56.92 -33.47 67.0 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.076 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.29 -40.94 75.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.787 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.03 -21.97 59.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.666 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 11' ' ' ILE . 10.0 mt -94.31 108.1 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.722 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.0 28.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 78.1 m -68.04 -50.85 52.76 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.766 ' CD ' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.44 -30.86 69.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.803 179.25 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -29.73 68.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.98 -29.19 41.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.42 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -60.46 -49.15 78.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.017 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -64.53 -45.71 86.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.732 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -36.61 79.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.72 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.753 ' O ' HG12 ' A' ' 23' ' ' VAL . 17.2 ttmt -65.7 -40.91 92.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.055 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -56.73 -43.04 80.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.069 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.29 -22.39 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.358 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 20' ' ' LYS . 3.0 p -52.6 -23.41 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.44 -37.14 36.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 109.813 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -55.35 -15.14 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.606 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.971 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.909 0.385 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -37.14 63.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.009 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.22 -25.98 64.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.462 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -55.84 -26.39 46.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.12 -39.14 77.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.457 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' SER . 9.3 m-20 -60.28 -40.76 91.59 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 7.1 p -63.2 -36.95 85.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.81 178.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 t -47.58 -23.7 0.72 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.395 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -55.16 -41.04 71.34 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.816 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.04 -14.53 62.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.707 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 pt -146.44 99.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.978 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.33 -66.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.151 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -48.55 -42.14 32.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.887 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -74.66 -34.94 62.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.088 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -30.95 69.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.133 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mt -53.24 -28.58 28.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -67.51 -32.12 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.457 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.5 tt0 -63.89 -30.13 71.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.984 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -67.57 -41.13 84.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.112 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 26.7 mmtm -72.54 -29.6 63.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 109.943 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.25 -38.33 71.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.324 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 18' ' ' GLU . 56.1 t -60.88 -41.1 87.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.855 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.525 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 7.1 m -62.4 -37.46 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.591 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -49.69 -38.29 32.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -59.35 -14.36 11.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.437 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.878 0.37 . . . . 0.0 110.634 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.61 -36.29 23.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.478 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 5' ' ' VAL . . . -57.21 -25.03 58.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -45.2 -14.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.337 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.589 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.5 t -41.03 -37.3 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -59.83 -40.56 88.91 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.676 ' N ' ' O ' ' A' ' 4' ' ' ALA . 26.6 p -63.19 -20.39 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.575 177.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.589 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 78.5 p -36.82 -22.48 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.775 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.674 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -50.25 -47.13 55.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.57 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 4.3 mt-10 -69.77 3.14 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.115 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.6 ' O ' ' CB ' ' A' ' 12' ' ' THR . 4.4 pt 54.65 -155.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.05 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.6 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.4 m 89.13 -14.02 0.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.191 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.2 m -59.12 -48.08 82.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.309 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -68.15 -37.24 80.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.946 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.81 -34.6 67.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.646 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -53.87 -29.64 42.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.217 179.394 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -69.42 -38.61 77.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.334 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -37.99 58.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.027 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.736 ' O ' HG12 ' A' ' 22' ' ' VAL . 17.5 tttt -73.41 -31.6 63.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.435 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -74.57 -32.17 62.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.417 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.529 ' O ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -69.64 -39.82 76.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.375 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 19' ' ' LYS . 2.1 p -60.01 -27.14 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.522 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 16.0 t -52.66 -37.58 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.521 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.5 -39.63 84.41 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.556 ' OE1' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -60.95 -14.3 21.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 109.662 179.15 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.708 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -59.23 -33.95 71.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.686 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.412 ' O ' ' OD2' ' A' ' 6' ' ' ASP . . . -57.78 -19.77 30.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.737 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.15 -19.32 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -59.46 -38.2 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.563 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.412 ' OD2' ' O ' ' A' ' 3' ' ' ALA . 7.8 m-20 -59.56 -40.37 87.13 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -62.51 -36.59 83.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.229 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 10' ' ' GLU . 3.9 t -47.7 -25.91 1.37 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.774 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.34 -20.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.071 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 8' ' ' SER . 0.6 OUTLIER -69.51 -43.55 72.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.405 179.683 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' SER . 3.4 pt -129.94 129.49 65.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.42 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.9 p -122.07 16.46 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.751 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -50.48 65.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.686 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -66.02 -37.17 85.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.254 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.67 -31.27 72.39 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.584 HD21 ' NZ ' ' A' ' 20' ' ' LYS . 6.3 tp -54.25 -28.73 43.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.439 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -52.22 -43.18 64.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.612 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -40.89 86.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.568 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 28.5 mttp -69.33 -33.08 72.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.377 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.584 ' NZ ' HD21 ' A' ' 16' ' ' LEU . 9.7 mmtp -73.95 -29.62 62.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.985 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -66.49 -45.29 80.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 3.7 m -60.34 -30.67 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.821 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 74.7 t -52.12 -33.88 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -49.85 -37.74 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.36 -13.76 6.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.532 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.892 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.679 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 6.3 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.856 0.36 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.679 ' N ' ' OG ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -48.86 -34.24 12.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.537 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.16 -21.94 25.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.537 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.7 -34.23 69.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.329 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.9 t -58.38 -38.18 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.39 -38.51 80.7 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.6 m -60.62 -37.11 80.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.144 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -57.23 -21.91 37.25 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.886 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -53.03 -25.5 12.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.334 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.96 -39.57 71.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.127 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.836 HG22 ' H ' ' A' ' 12' ' ' THR . 3.3 mm -111.04 -161.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.7 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.836 ' H ' HG22 ' A' ' 11' ' ' ILE . 68.5 p 46.12 21.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.383 . . . . 0.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -63.24 -43.82 96.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.303 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -37.56 76.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.099 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.29 -33.03 74.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.26 -28.27 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.954 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -47.88 -32.88 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.438 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 18' ' ' GLU . 1.1 mp0 -65.42 -39.77 92.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.318 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.699 ' O ' HG12 ' A' ' 22' ' ' VAL . 16.4 mttp -64.62 -46.57 82.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.473 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.553 ' O ' HG12 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -64.68 -39.26 93.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.941 179.696 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' O ' ' CD ' ' A' ' 24' ' ' GLU . 2.1 tp10 -56.64 -32.8 65.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.819 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -58.38 -20.75 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.146 179.67 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 20' ' ' LYS . 11.5 p -41.92 -22.18 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.241 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.556 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 1.3 mp0 -49.88 -36.24 26.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.772 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -53.09 -17.52 1.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.43 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.588 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 1.7 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.909 0.385 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.588 ' N ' ' OG ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -47.74 -32.0 5.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.584 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.99 -24.42 58.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.182 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.677 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -58.94 -13.65 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.478 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 6' ' ' ASP . 2.6 p -41.11 -38.86 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.482 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 7.5 t0 -60.58 -39.47 88.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.677 ' N ' ' O ' ' A' ' 4' ' ' ALA . 28.0 m -62.27 -38.12 88.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.81 178.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -16.21 0.12 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.575 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 7' ' ' THR . 25.1 m -52.2 -18.13 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.301 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.69 ' O ' HG22 ' A' ' 11' ' ' ILE . 1.1 mm-40 -65.99 -24.75 66.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.161 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.69 HG22 ' O ' ' A' ' 10' ' ' GLU . 20.8 tt 48.08 -3.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.583 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.68 ' H ' ' C ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -65.76 -32.84 74.61 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.201 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.445 ' H ' HG23 ' A' ' 13' ' ' THR . 0.1 OUTLIER -66.82 -31.2 71.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.915 179.558 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -73.2 -41.47 63.76 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.02 -37.58 71.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.23 -30.14 59.42 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.458 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -40.15 73.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.268 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -57.32 -40.15 77.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.221 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.961 ' O ' HG22 ' A' ' 22' ' ' VAL . 10.8 tttt -72.86 -38.55 67.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.977 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -70.53 -29.49 65.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.55 -41.34 97.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.194 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.961 HG22 ' O ' ' A' ' 19' ' ' LYS . 7.0 m -59.34 -28.18 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.248 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 94.9 t -59.05 -37.19 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.111 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -56.89 -37.49 71.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.937 0.399 . . . . 0.0 110.141 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 25' ' ' GLU . 52.1 mt-10 -57.65 -14.51 5.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.661 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.168 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.678 0.275 . . . . 0.0 110.576 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER -52.18 -36.77 52.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -50.3 -28.01 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.997 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 7' ' ' THR . . . -46.01 -22.33 0.2 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.188 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' A' ' 8' ' ' SER . 4.0 t -50.07 -37.84 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.57 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -38.9 82.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 4' ' ' ALA . 59.2 m -60.83 -34.76 75.06 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 1.6 m -42.95 -30.08 0.38 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.722 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 p -53.21 -46.67 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.999 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.589 ' O ' ' O ' ' A' ' 11' ' ' ILE . 2.3 mm-40 -61.94 -11.05 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.874 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.664 ' O ' ' CB ' ' A' ' 12' ' ' THR . 23.2 pt 38.43 -172.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.272 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.664 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 91.8 m 123.47 -4.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.188 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -49.02 12.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.089 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.99 -33.48 63.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.097 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -57.31 -36.9 71.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.197 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -30.94 47.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.433 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -70.6 -33.19 70.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.407 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.741 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.0 tp10 -60.72 -33.83 73.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.153 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 23' ' ' VAL . 16.0 mtmt -62.33 -41.82 98.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.056 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.25 -50.89 50.81 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.879 179.642 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.84 -36.12 82.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.687 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 18' ' ' GLU . 6.3 t -59.9 -34.21 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.019 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 19' ' ' LYS . 37.4 t -46.44 -28.58 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.599 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.41 -37.95 79.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.471 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -59.19 -14.33 10.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.043 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.505 179.773 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.971 0.415 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -37.16 78.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.651 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.436 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -54.37 -25.38 24.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -45.85 -20.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 3' ' ' ALA . 8.7 p -49.81 -37.55 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.979 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' A' ' 7' ' ' THR . 6.1 p30 -57.3 -39.65 76.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.643 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 57.1 m -61.92 -36.63 81.93 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.621 ' O ' HG22 ' A' ' 11' ' ' ILE . 4.3 t -50.52 -37.31 38.45 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.587 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.27 -21.57 1.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.445 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.99 -36.78 78.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.609 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 8' ' ' SER . 4.7 tt -83.84 22.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.505 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.435 ' O ' HG22 ' A' ' 12' ' ' THR . 58.7 m -95.06 -11.94 27.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.986 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.0 m -55.63 -49.18 73.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.973 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -73.55 -32.53 64.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -66.02 -27.42 68.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.98 -30.55 35.73 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -70.63 -40.07 73.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.843 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -68.72 -43.01 76.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.358 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.819 ' O ' HG22 ' A' ' 22' ' ' VAL . 6.6 tptp -60.46 -38.54 84.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.946 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.851 ' O ' HG22 ' A' ' 23' ' ' VAL . 6.9 ttpt -73.94 -30.01 62.33 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.91 -31.25 68.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.898 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 19' ' ' LYS . 3.4 m -52.52 -31.78 16.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.083 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.851 HG22 ' O ' ' A' ' 20' ' ' LYS . 3.9 m -59.03 -37.28 66.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.942 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -59.79 -37.0 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -16.72 4.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.529 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.62 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.832 0.348 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 46.3 t0 -48.22 -37.38 15.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.16 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.333 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.646 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -53.01 -21.03 3.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.46 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 6' ' ' ASP . 13.9 p -43.79 -38.36 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.452 ' N ' HG13 ' A' ' 5' ' ' VAL . 55.9 m-20 -60.07 -38.4 82.75 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.646 ' N ' ' O ' ' A' ' 4' ' ' ALA . 0.2 OUTLIER -60.95 -37.59 82.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.25 178.347 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 t -44.54 -17.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.231 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 7' ' ' THR . 66.7 m -51.21 -41.11 60.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.205 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.22 -2.37 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.942 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 11' ' ' ILE . 3.3 mp 62.47 67.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -119.09 18.61 13.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.176 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -46.95 56.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.513 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.95 -38.87 89.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.024 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 24.8 m-20 -61.19 -35.33 76.86 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 16' ' ' LEU . 2.1 tt -54.53 -27.09 35.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.867 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.7 -34.45 12.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.916 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -71.51 -37.04 71.26 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.209 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.679 ' O ' HG22 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -73.98 -36.68 64.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.316 179.23 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -30.09 71.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.017 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.4 -46.22 89.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.013 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 19' ' ' LYS . 1.3 m -59.77 -34.4 55.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.945 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 92.0 t -59.67 -24.96 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 110.437 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' A' ' 26' ' ' ALA . 9.3 tt0 -51.53 -38.15 52.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.017 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.26 -14.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.322 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.784 0.326 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.677 ' O ' HG13 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -48.06 -37.32 14.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -59.31 -14.53 11.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.779 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.6 -19.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.58 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 2' ' ' ASP . 5.3 m -59.23 -39.63 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.463 ' N ' HG23 ' A' ' 5' ' ' VAL . 32.0 t0 -61.49 -39.96 92.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.9 m -62.34 -37.61 86.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.933 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 p -57.66 -18.29 19.65 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.699 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 p -57.61 -36.34 71.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.548 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.71 -26.96 67.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.285 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.755 HG23 ' O ' ' A' ' 11' ' ' ILE . 2.4 tt -144.53 87.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.381 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -68.1 -19.29 64.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.384 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.408 ' OG1' HG13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -55.82 -36.19 67.2 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.972 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -37.84 62.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.328 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.37 -40.49 68.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tp -53.98 -29.82 44.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.894 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -36.04 78.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.579 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.56 -44.3 91.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.691 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.892 ' O ' HG22 ' A' ' 22' ' ' VAL . 7.5 mttp -69.93 -41.09 75.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.039 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.568 ' O ' HG12 ' A' ' 23' ' ' VAL . 13.0 mmtt -62.58 -29.95 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.792 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 24' ' ' GLU . 38.1 tt0 -55.13 -40.76 70.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.671 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.892 HG22 ' O ' ' A' ' 19' ' ' LYS . 4.7 m -49.04 -35.32 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.442 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -59.08 -24.11 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.901 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' N ' ' A' ' 26' ' ' ALA . 2.4 tp10 -49.22 -37.74 24.09 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.818 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -49.26 -19.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.551 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.679 0.276 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.71 -37.58 63.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.816 0.341 . . . . 0.0 110.636 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.5 -22.86 62.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.595 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -49.29 -27.27 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 6' ' ' ASP . 12.4 p -43.74 -37.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -59.89 -40.52 89.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.356 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 4' ' ' ALA . 43.4 p -63.3 -37.58 87.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.11 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.456 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 36.7 m -57.41 -15.22 6.1 Favored 'General case' 0 N--CA 1.46 0.042 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.74 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.9 p -57.68 -8.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.016 0.436 . . . . 0.0 110.085 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 11' ' ' ILE . 7.2 pt-20 -69.02 -41.81 77.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 8' ' ' SER . 4.8 pt -76.71 49.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.742 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.9 p -117.4 -27.05 6.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.457 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -35.58 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.391 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -73.99 -37.57 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.114 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -32.65 73.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.22 -29.25 45.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.362 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -62.75 -33.8 75.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.648 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -52.56 40.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -64.41 -36.21 83.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.368 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.724 ' O ' HG12 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -63.79 -35.22 79.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.23 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -56.19 -39.33 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.235 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.442 ' H ' HG23 ' A' ' 22' ' ' VAL . 3.0 t -59.13 -28.05 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.772 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.724 HG12 ' O ' ' A' ' 20' ' ' LYS . 3.3 p -50.53 -36.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.552 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.407 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 24.9 mt-10 -52.2 -37.96 56.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.955 0.407 . . . . 0.0 109.999 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.38 -14.21 4.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.068 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.494 179.862 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.634 0.254 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.779 ' O ' HG22 ' A' ' 5' ' ' VAL . 2.8 m-20 -55.12 -38.03 67.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.72 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.76 -15.71 22.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.576 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -58.38 -21.08 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.513 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 2' ' ' ASP . 14.3 m -59.82 -39.15 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -41.33 97.2 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.576 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 80.9 p -63.1 -36.6 84.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.414 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.419 ' C ' ' N ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -45.47 -16.17 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.476 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -48.42 -17.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.558 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 11' ' ' ILE . 2.4 tt0 -69.49 -34.07 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.661 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER 31.38 -103.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.508 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.586 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.1 OUTLIER -150.95 44.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.715 -179.836 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.9 m -86.65 -50.59 6.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.7 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -74.17 -32.13 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.92 -33.75 74.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.175 0.512 . . . . 0.0 109.893 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tp -54.31 -29.04 46.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.859 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -59.87 -46.93 87.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.323 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.82 -38.52 91.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.861 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -37.93 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.031 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -62.89 -32.95 74.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.041 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -60.51 -34.72 74.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.113 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.419 ' C ' ' N ' ' A' ' 24' ' ' GLU . 66.6 t -57.55 -25.0 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.038 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 2.5 p -49.93 -16.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.241 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 22' ' ' VAL . 9.9 mt-10 -49.59 -37.41 27.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.002 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.74 -14.89 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.625 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.391 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.016 0.436 . . . . 0.0 110.717 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.713 ' O ' HG23 ' A' ' 5' ' ' VAL . 1.5 m-20 -50.42 -36.36 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.63 -34.75 62.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.003 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.56 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -59.77 -15.4 20.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.416 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 2' ' ' ASP . 71.5 t -57.01 -38.64 61.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.596 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.54 -41.3 94.19 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.446 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.56 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 41.9 p -63.73 -37.26 86.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.794 178.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.669 ' O ' HG22 ' A' ' 11' ' ' ILE . 1.3 p -48.37 -17.35 0.14 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.889 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 7' ' ' THR . 43.5 t -68.04 -33.71 75.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.611 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.6 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.6 mt-10 -69.16 -12.28 61.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.669 HG22 ' O ' ' A' ' 8' ' ' SER . 1.6 tt -66.63 24.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.027 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.6 ' H ' ' C ' ' A' ' 10' ' ' GLU . 15.2 p -135.35 -7.27 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.144 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 10' ' ' GLU . 2.4 t -50.72 -44.1 58.14 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.218 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' N ' HG23 ' A' ' 13' ' ' THR . 0.0 OUTLIER -74.15 -36.68 64.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.225 179.661 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -54.78 -40.45 69.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -55.01 -30.39 59.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.29 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -69.21 -54.84 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.022 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.68 -38.16 74.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.984 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.945 ' O ' HG22 ' A' ' 22' ' ' VAL . 1.9 tptp -73.34 -28.64 62.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.595 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -74.8 -31.42 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.264 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -63.71 -34.93 78.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.324 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.945 HG22 ' O ' ' A' ' 19' ' ' LYS . 2.5 m -59.54 -19.97 17.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.797 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 2.8 t -42.08 -32.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.903 0.382 . . . . 0.0 110.151 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.68 -37.34 75.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.859 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 22' ' ' VAL . 4.0 tt0 -56.38 -16.14 5.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.721 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.816 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.774 0.321 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -48.88 -37.43 19.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.258 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.87 -26.26 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.837 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.6 77.16 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.732 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 t -61.7 -40.11 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.482 ' OD1' ' C ' ' A' ' 6' ' ' ASP . 4.4 t0 -60.89 -38.87 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.485 ' C ' ' N ' ' A' ' 9' ' ' SER . 22.1 m -61.08 -34.99 75.79 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.146 178.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' ILE . 4.5 m -47.16 -15.03 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.099 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.485 ' N ' ' C ' ' A' ' 7' ' ' THR . 83.7 p -48.91 -42.6 37.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.162 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.652 ' C ' HG23 ' A' ' 11' ' ' ILE . 1.3 mp0 -69.78 -0.25 6.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.334 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.652 HG23 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER 57.38 115.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.287 -179.327 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -149.04 41.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.089 -179.639 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.716 HG23 ' N ' ' A' ' 14' ' ' LYS . 14.8 t -50.25 -52.09 39.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.924 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.716 ' N ' HG23 ' A' ' 13' ' ' THR . 10.4 ttmt -73.42 -32.37 64.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.482 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -33.94 74.52 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -54.88 -29.3 55.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.636 178.855 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -53.83 -46.72 71.25 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.951 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.1 mt-10 -59.26 -46.12 89.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.839 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -71.54 -28.42 63.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' O ' HG12 ' A' ' 23' ' ' VAL . 11.9 ttpp -71.84 -34.19 69.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.385 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.24 -36.43 84.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.202 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.454 ' C ' ' N ' ' A' ' 24' ' ' GLU . 44.0 t -59.11 -25.8 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.544 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 20' ' ' LYS . 4.1 p -45.32 -18.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.462 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 22' ' ' VAL . 5.0 mm-40 -51.16 -37.36 45.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.168 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -56.39 -14.86 3.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.761 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.356 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.753 0.311 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.511 ' O ' HG23 ' A' ' 5' ' ' VAL . 1.1 m-20 -52.6 -37.23 57.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.267 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.574 ' O ' ' OD2' ' A' ' 6' ' ' ASP . . . -59.61 -29.75 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.67 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.65 -26.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 2' ' ' ASP . 50.1 t -59.76 -38.5 76.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.728 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.686 ' OD1' ' N ' ' A' ' 7' ' ' THR . 2.8 p30 -60.06 -39.83 87.36 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.686 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 1.0 OUTLIER -61.69 -34.94 76.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.064 178.28 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.3 p -44.81 -16.72 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.318 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 7' ' ' THR . 8.8 m -48.34 -27.03 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.897 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 12' ' ' THR . 2.1 mt-10 -56.06 -25.27 44.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.266 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 10' ' ' GLU . 14.8 mt 66.05 -41.66 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.047 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 10' ' ' GLU . 3.8 t -73.1 6.39 2.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.982 0.42 . . . . 0.0 109.907 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.1 m -78.0 -40.98 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.889 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -75.1 -35.19 61.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.671 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -40.77 66.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -30.16 70.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.845 178.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -58.73 -36.31 74.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.098 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.567 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.8 mt-10 -57.98 -47.0 84.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.771 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -35.88 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.357 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -72.02 -29.9 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.038 179.594 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 3.3 tt0 -64.87 -41.04 95.98 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.649 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 18' ' ' GLU . 4.4 t -59.5 -36.05 62.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.028 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.589 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 62.1 t -56.37 -29.38 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.39 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.619 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 9.0 mp0 -49.91 -38.71 37.25 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.654 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.39 -22.26 19.11 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.696 -0.854 . . . . 0.0 108.696 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.489 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.806 0.336 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.515 ' O ' HG13 ' A' ' 5' ' ' VAL . 38.0 t0 -59.08 -37.16 76.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.75 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -59.49 -25.41 64.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.459 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -50.71 -14.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.95 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 2' ' ' ASP . 19.1 m -59.62 -39.31 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.409 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.581 ' O ' ' OG ' ' A' ' 9' ' ' SER . 2.9 m-20 -60.84 -41.11 95.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 21.6 p -63.48 -29.66 70.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.973 178.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -48.27 -37.05 15.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.295 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.581 ' OG ' ' O ' ' A' ' 6' ' ' ASP . 0.2 OUTLIER -50.0 -30.87 11.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.68 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.48 -24.64 66.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.21 86.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.642 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -168.67 35.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.473 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 p -78.69 -53.29 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.558 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -72.31 -32.16 66.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.13 -33.29 71.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.941 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.68 -28.93 36.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.677 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -35.94 78.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -67.55 -34.68 77.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.199 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.562 ' O ' HG22 ' A' ' 22' ' ' VAL . 2.0 tmmm? -73.08 -42.4 63.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.09 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.71 ' O ' HG12 ' A' ' 23' ' ' VAL . 1.2 mttm -59.39 -32.7 70.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.022 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.12 -45.79 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.771 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -59.61 -33.64 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.276 -179.666 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -58.56 -21.91 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.382 -179.193 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -49.03 -37.53 20.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.356 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.29 -14.85 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.084 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.399 179.872 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.748 0.308 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -48.02 -32.48 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.017 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.38 -26.88 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.124 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.13 -26.54 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.371 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 t -59.45 -37.98 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.843 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -39.2 84.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -37.48 85.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.061 178.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 t -55.32 -23.25 22.57 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.133 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -49.86 -24.51 2.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.739 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.28 -42.17 75.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.926 HG23 ' H ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -177.25 -109.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.685 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.926 ' H ' HG23 ' A' ' 11' ' ' ILE . 15.5 p 55.12 43.49 29.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.505 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.04 -56.28 9.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.326 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -71.51 -31.3 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.156 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -34.62 75.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.798 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -53.72 -29.11 37.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.45 179.572 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -65.31 -45.21 85.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.428 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -55.85 -44.73 78.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.161 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.969 ' O ' HG22 ' A' ' 22' ' ' VAL . 10.1 mttt -71.56 -28.39 63.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.97 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -29.85 65.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.495 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.14 -33.85 76.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.563 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.969 HG22 ' O ' ' A' ' 19' ' ' LYS . 2.8 m -59.31 -26.98 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.624 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.0 t -53.22 -17.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.136 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 26' ' ' ALA . 1.3 mm-40 -50.55 -37.31 38.79 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.3 -18.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.653 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.847 0.356 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -50.19 -36.84 32.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.48 -19.22 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.979 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.522 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -50.52 -21.12 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.147 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 6' ' ' ASP . 8.5 p -58.91 -38.53 73.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.125 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.447 ' N ' HG13 ' A' ' 5' ' ' VAL . 3.5 t0 -59.91 -39.08 84.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -61.48 -36.62 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.64 178.53 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -41.87 -23.94 0.04 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.239 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 7' ' ' THR . 22.4 p -54.69 -34.34 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.321 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.734 ' O ' HG22 ' A' ' 11' ' ' ILE . 9.9 tt0 -59.54 -16.59 25.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.463 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.734 HG22 ' O ' ' A' ' 10' ' ' GLU . 3.0 tp 94.37 148.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.557 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -105.95 8.82 32.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.456 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.0 m -68.21 -57.02 6.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.331 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -67.01 -34.17 77.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.004 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.541 ' OD2' ' OE1' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -60.74 -34.18 74.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -29.08 42.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -55.37 -32.23 62.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.269 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.541 ' OE1' ' OD2' ' A' ' 15' ' ' ASP . 4.7 mt-10 -54.66 -38.43 66.9 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -66.76 -33.59 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.736 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.83 -36.74 73.05 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 38.3 mt-10 -54.99 -34.3 63.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.148 179.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -34.91 46.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.192 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 25.8 t -59.3 -20.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.451 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 26.7 mt-10 -55.25 -37.62 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.371 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.39 -14.62 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.812 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.524 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.798 0.332 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.573 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -50.78 -34.43 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.513 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.4 -18.75 41.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -44.92 -29.1 0.75 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.004 0.431 . . . . 0.0 110.123 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.502 ' O ' ' OG ' ' A' ' 8' ' ' SER . 6.3 p -42.96 -32.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.733 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -39.61 80.14 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 4' ' ' ALA . 32.0 m -62.21 -36.93 83.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.234 177.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 16.9 p -58.09 -19.0 28.68 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 p -64.47 -30.33 71.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.037 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.673 ' O ' ' N ' ' A' ' 12' ' ' THR . 20.3 tt0 -68.94 -34.02 74.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.878 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.871 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -20.19 79.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.509 -179.706 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.673 ' N ' ' O ' ' A' ' 10' ' ' GLU . 1.7 t -160.62 -49.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.132 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.604 ' N ' ' CG2' ' A' ' 12' ' ' THR . 1.0 OUTLIER -74.67 -27.58 60.48 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.73 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.87 -42.42 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.673 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.43 -37.48 72.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -29.72 45.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.724 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -36.16 74.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.797 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -58.16 -41.59 84.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.511 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -67.43 -43.96 79.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.468 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -30.14 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.132 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.21 -35.21 73.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.428 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.17 -27.17 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.667 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.7 t -54.85 -33.3 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.526 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.52 -37.62 57.89 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -53.94 -17.14 2.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.653 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.514 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.056 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -29.44 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.528 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 61.2 t0 -58.87 -36.36 74.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.45 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -56.02 -21.0 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.87 -14.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.637 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.45 ' N ' ' C ' ' A' ' 3' ' ' ALA . 2.1 p -56.58 -38.9 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.541 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.43 -40.11 89.89 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.639 ' O ' ' N ' ' A' ' 9' ' ' SER . 96.0 m -62.58 -35.95 81.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.608 178.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -41.33 -14.59 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.433 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -54.07 -41.23 67.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.759 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -9.48 52.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.639 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.2 mm 64.08 81.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.664 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.94 -36.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.8 -39.83 8.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -75.39 -35.64 61.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.367 179.127 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -54.31 -33.09 58.06 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.986 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.14 -30.13 35.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -70.03 -46.46 65.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.762 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 22' ' ' VAL . 35.1 tt0 -66.76 -43.45 84.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.581 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 9.4 tttp -56.58 -35.15 67.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.965 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' O ' HG12 ' A' ' 23' ' ' VAL . 7.3 tptp -75.6 -36.51 60.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -43.32 85.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' GLU . 15.5 m -60.9 -25.36 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.832 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 20' ' ' LYS . 2.7 p -43.35 -30.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.0 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -37.19 76.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.768 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 28' ' ' ASN . 8.1 tp10 -57.98 -14.61 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.813 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 28' ' ' ASN . . . -42.69 -26.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.313 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 25' ' ' GLU . 31.8 mt-10 -70.78 4.73 2.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.178 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.558 ' N ' ' O ' ' A' ' 25' ' ' GLU . 33.8 t30 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.59 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m -62.63 -19.48 63.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.353 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.718 ' O ' HG13 ' A' ' 5' ' ' VAL . 3.0 m-20 -54.92 -37.49 66.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.462 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.47 -27.81 66.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.578 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -47.06 -34.45 5.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.29 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 2' ' ' ASP . 29.7 m -41.08 -32.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.966 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -54.68 -40.83 69.49 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 40.4 p -63.65 -36.98 85.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.434 177.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m -56.92 -33.47 67.0 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.076 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.29 -40.94 75.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.787 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.03 -21.97 59.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.666 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 11' ' ' ILE . 10.0 mt -94.31 108.1 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.722 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.0 28.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 78.1 m -68.04 -50.85 52.76 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.766 ' CD ' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.44 -30.86 69.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.803 179.25 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -29.73 68.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.98 -29.19 41.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.42 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -60.46 -49.15 78.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.017 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -64.53 -45.71 86.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.732 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -36.61 79.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.72 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.753 ' O ' HG12 ' A' ' 23' ' ' VAL . 17.2 ttmt -65.7 -40.91 92.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.055 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -56.73 -43.04 80.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.069 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.29 -22.39 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.358 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 20' ' ' LYS . 3.0 p -52.6 -23.41 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.44 -37.14 36.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 109.813 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.525 ' O ' ' OXT' ' A' ' 28' ' ' ASN . 40.4 tt0 -55.35 -15.14 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.606 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -61.74 -25.91 67.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.971 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.61 -11.49 60.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.27 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.525 ' OXT' ' O ' ' A' ' 25' ' ' GLU . 1.1 t-20 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.412 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.471 ' C ' ' H ' ' A' ' 2' ' ' ASP . . . . . . . . 0 C--O 1.232 0.157 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.16 2.97 0.47 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.909 0.385 . . . . 0.0 110.422 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 0' ' ' ACE . 0.0 OUTLIER -54.09 -37.14 63.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.009 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.22 -25.98 64.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.462 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -55.84 -26.39 46.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.12 -39.14 77.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.457 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' SER . 9.3 m-20 -60.28 -40.76 91.59 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 7.1 p -63.2 -36.95 85.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.81 178.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 t -47.58 -23.7 0.72 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.395 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -55.16 -41.04 71.34 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.816 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.04 -14.53 62.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.707 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 pt -146.44 99.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.978 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.33 -66.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.151 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -48.55 -42.14 32.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.887 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -74.66 -34.94 62.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.088 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -30.95 69.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.133 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mt -53.24 -28.58 28.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -67.51 -32.12 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.457 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.5 tt0 -63.89 -30.13 71.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.984 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -67.57 -41.13 84.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.112 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 26.7 mmtm -72.54 -29.6 63.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 109.943 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.25 -38.33 71.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.324 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 18' ' ' GLU . 56.1 t -60.88 -41.1 87.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.855 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.525 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 7.1 m -62.4 -37.46 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.591 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -49.69 -38.29 32.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.651 ' O ' ' N ' ' A' ' 28' ' ' ASN . 27.1 tt0 -59.35 -14.36 11.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 23' ' ' VAL . . . -39.42 -32.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.437 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.55 -28.98 46.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.525 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.651 ' N ' ' O ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.668 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.537 ' C ' ' H ' ' A' ' 2' ' ' ASP . . . . . . . . 0 C--O 1.232 0.16 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.77 -35.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.634 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 0' ' ' ACE . 0.2 OUTLIER -49.61 -36.29 23.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.478 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 5' ' ' VAL . . . -57.21 -25.03 58.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -45.2 -14.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.337 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.589 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.5 t -41.03 -37.3 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -59.83 -40.56 88.91 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.676 ' N ' ' O ' ' A' ' 4' ' ' ALA . 26.6 p -63.19 -20.39 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.575 177.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.589 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 78.5 p -36.82 -22.48 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.775 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.674 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -50.25 -47.13 55.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.57 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 4.3 mt-10 -69.77 3.14 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.115 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.6 ' O ' ' CB ' ' A' ' 12' ' ' THR . 4.4 pt 54.65 -155.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.05 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.6 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.4 m 89.13 -14.02 0.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.191 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.2 m -59.12 -48.08 82.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.309 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -68.15 -37.24 80.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.946 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.81 -34.6 67.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.646 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -53.87 -29.64 42.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.217 179.394 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -69.42 -38.61 77.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.334 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -37.99 58.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.027 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.736 ' O ' HG12 ' A' ' 22' ' ' VAL . 17.5 tttt -73.41 -31.6 63.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.435 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -74.57 -32.17 62.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.417 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.529 ' O ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -69.64 -39.82 76.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.375 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 19' ' ' LYS . 2.1 p -60.01 -27.14 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.522 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 16.0 t -52.66 -37.58 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.521 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.5 -39.63 84.41 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.556 ' OE1' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -60.95 -14.3 21.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 109.662 179.15 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -42.9 -34.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.708 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.521 ' O ' ' OXT' ' A' ' 28' ' ' ASN . 25.0 pt-20 -52.82 -9.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.532 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.521 ' OXT' ' O ' ' A' ' 27' ' ' GLU . 30.9 t-20 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.547 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.2 -26.92 0.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.831 0.348 . . . . 0.0 110.476 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -59.23 -33.95 71.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.686 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.412 ' O ' ' OD2' ' A' ' 6' ' ' ASP . . . -57.78 -19.77 30.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.737 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.15 -19.32 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -59.46 -38.2 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.563 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.412 ' OD2' ' O ' ' A' ' 3' ' ' ALA . 7.8 m-20 -59.56 -40.37 87.13 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -62.51 -36.59 83.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.229 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 10' ' ' GLU . 3.9 t -47.7 -25.91 1.37 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.774 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.34 -20.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.071 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 8' ' ' SER . 0.6 OUTLIER -69.51 -43.55 72.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.405 179.683 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' SER . 3.4 pt -129.94 129.49 65.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.42 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.9 p -122.07 16.46 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.751 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -50.48 65.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.686 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -66.02 -37.17 85.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.254 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.67 -31.27 72.39 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.584 HD21 ' NZ ' ' A' ' 20' ' ' LYS . 6.3 tp -54.25 -28.73 43.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.439 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -52.22 -43.18 64.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.612 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -40.89 86.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.568 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 28.5 mttp -69.33 -33.08 72.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.377 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.584 ' NZ ' HD21 ' A' ' 16' ' ' LEU . 9.7 mmtp -73.95 -29.62 62.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.985 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -66.49 -45.29 80.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 3.7 m -60.34 -30.67 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.821 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 74.7 t -52.12 -33.88 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -49.85 -37.74 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 3.4 mt-10 -58.36 -13.76 6.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.532 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -60.74 -45.09 95.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.892 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.5 -37.78 82.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.824 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.698 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.552 ' O ' ' OG ' ' A' ' 1' ' ' SER . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.679 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 6.3 p 84.64 -75.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.639 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.679 ' N ' ' OG ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -48.86 -34.24 12.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.537 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.16 -21.94 25.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.537 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.7 -34.23 69.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.329 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.9 t -58.38 -38.18 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.39 -38.51 80.7 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.6 m -60.62 -37.11 80.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.144 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -57.23 -21.91 37.25 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.886 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -53.03 -25.5 12.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.334 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.96 -39.57 71.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.127 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.836 HG22 ' H ' ' A' ' 12' ' ' THR . 3.3 mm -111.04 -161.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.7 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.836 ' H ' HG22 ' A' ' 11' ' ' ILE . 68.5 p 46.12 21.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.383 . . . . 0.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -63.24 -43.82 96.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.303 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -37.56 76.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.099 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.29 -33.03 74.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.26 -28.27 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.954 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -47.88 -32.88 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.438 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 18' ' ' GLU . 1.1 mp0 -65.42 -39.77 92.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.318 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.699 ' O ' HG12 ' A' ' 22' ' ' VAL . 16.4 mttp -64.62 -46.57 82.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.473 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.553 ' O ' HG12 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -64.68 -39.26 93.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.941 179.696 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' O ' ' CD ' ' A' ' 24' ' ' GLU . 2.1 tp10 -56.64 -32.8 65.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.819 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -58.38 -20.75 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.146 179.67 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 20' ' ' LYS . 11.5 p -41.92 -22.18 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.241 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.556 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 1.3 mp0 -49.88 -36.24 26.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.772 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -53.09 -17.52 1.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . -61.55 -21.05 63.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.43 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -62.24 -16.34 52.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.387 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.726 -179.924 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.588 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 1.7 t 44.25 -99.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.611 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.588 ' N ' ' OG ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -47.74 -32.0 5.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.584 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.99 -24.42 58.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.182 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.677 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -58.94 -13.65 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.478 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 6' ' ' ASP . 2.6 p -41.11 -38.86 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.482 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 7.5 t0 -60.58 -39.47 88.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.677 ' N ' ' O ' ' A' ' 4' ' ' ALA . 28.0 m -62.27 -38.12 88.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.81 178.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -16.21 0.12 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.575 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 7' ' ' THR . 25.1 m -52.2 -18.13 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.301 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.69 ' O ' HG22 ' A' ' 11' ' ' ILE . 1.1 mm-40 -65.99 -24.75 66.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.161 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.69 HG22 ' O ' ' A' ' 10' ' ' GLU . 20.8 tt 48.08 -3.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.583 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.68 ' H ' ' C ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -65.76 -32.84 74.61 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.201 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.445 ' H ' HG23 ' A' ' 13' ' ' THR . 0.1 OUTLIER -66.82 -31.2 71.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.915 179.558 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -73.2 -41.47 63.76 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.02 -37.58 71.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.23 -30.14 59.42 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.458 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -40.15 73.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.268 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -57.32 -40.15 77.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.221 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.961 ' O ' HG22 ' A' ' 22' ' ' VAL . 10.8 tttt -72.86 -38.55 67.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.977 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -70.53 -29.49 65.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.55 -41.34 97.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.194 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.961 HG22 ' O ' ' A' ' 19' ' ' LYS . 7.0 m -59.34 -28.18 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.248 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 94.9 t -59.05 -37.19 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.111 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.563 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 2.7 mt-10 -56.89 -37.49 71.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.937 0.399 . . . . 0.0 110.141 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 25' ' ' GLU . 52.1 mt-10 -57.65 -14.51 5.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.661 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -58.33 -44.06 88.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.168 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.563 ' OE1' ' O ' ' A' ' 24' ' ' GLU . 2.6 mt-10 -68.52 5.65 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.86 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' ' 26' ' ' ALA . 6.5 m120 . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.583 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.704 ' O ' ' N ' ' A' ' 2' ' ' ASP . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 0' ' ' ACE . 0.3 OUTLIER 36.27 -82.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.237 0.336 . . . . 0.0 110.576 . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.704 ' N ' ' O ' ' A' ' 0' ' ' ACE . 0.3 OUTLIER -52.18 -36.77 52.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -50.3 -28.01 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.997 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 7' ' ' THR . . . -46.01 -22.33 0.2 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.188 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' A' ' 8' ' ' SER . 4.0 t -50.07 -37.84 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.57 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -38.9 82.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 4' ' ' ALA . 59.2 m -60.83 -34.76 75.06 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 1.6 m -42.95 -30.08 0.38 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.722 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 p -53.21 -46.67 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.999 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.589 ' O ' ' O ' ' A' ' 11' ' ' ILE . 2.3 mm-40 -61.94 -11.05 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.874 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.664 ' O ' ' CB ' ' A' ' 12' ' ' THR . 23.2 pt 38.43 -172.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.272 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.664 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 91.8 m 123.47 -4.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.188 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -49.02 12.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.089 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.99 -33.48 63.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.097 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -57.31 -36.9 71.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.197 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -30.94 47.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.433 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -70.6 -33.19 70.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.407 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.741 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.0 tp10 -60.72 -33.83 73.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.153 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 23' ' ' VAL . 16.0 mtmt -62.33 -41.82 98.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.056 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.25 -50.89 50.81 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.879 179.642 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.84 -36.12 82.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.687 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 18' ' ' GLU . 6.3 t -59.9 -34.21 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.019 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 19' ' ' LYS . 37.4 t -46.44 -28.58 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.599 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.41 -37.95 79.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.471 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -59.19 -14.33 10.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.043 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.64 ' C ' ' H ' ' A' ' 28' ' ' ASN . . . -61.22 -27.15 68.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.505 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -46.95 -7.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.33 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.64 ' H ' ' C ' ' A' ' 26' ' ' ALA . 22.8 t-20 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.489 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 t -50.02 -61.49 2.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.971 0.415 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -37.16 78.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.651 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.436 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -54.37 -25.38 24.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -45.85 -20.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 3' ' ' ALA . 8.7 p -49.81 -37.55 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.979 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' A' ' 7' ' ' THR . 6.1 p30 -57.3 -39.65 76.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.643 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 57.1 m -61.92 -36.63 81.93 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.621 ' O ' HG22 ' A' ' 11' ' ' ILE . 4.3 t -50.52 -37.31 38.45 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.587 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.27 -21.57 1.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.445 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.99 -36.78 78.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.609 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 8' ' ' SER . 4.7 tt -83.84 22.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.505 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.435 ' O ' HG22 ' A' ' 12' ' ' THR . 58.7 m -95.06 -11.94 27.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.986 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.0 m -55.63 -49.18 73.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.973 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -73.55 -32.53 64.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -66.02 -27.42 68.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.98 -30.55 35.73 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -70.63 -40.07 73.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.843 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -68.72 -43.01 76.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.358 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.819 ' O ' HG22 ' A' ' 22' ' ' VAL . 6.6 tptp -60.46 -38.54 84.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.946 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.851 ' O ' HG22 ' A' ' 23' ' ' VAL . 6.9 ttpt -73.94 -30.01 62.33 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.91 -31.25 68.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.898 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 19' ' ' LYS . 3.4 m -52.52 -31.78 16.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.083 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.851 HG22 ' O ' ' A' ' 20' ' ' LYS . 3.9 m -59.03 -37.28 66.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.942 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -59.79 -37.0 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -16.72 4.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.529 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -51.23 -38.53 52.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.62 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -61.84 -32.39 72.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.479 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.63 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.3 t -109.3 -79.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.348 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 46.3 t0 -48.22 -37.38 15.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.16 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.333 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.646 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -53.01 -21.03 3.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.46 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 6' ' ' ASP . 13.9 p -43.79 -38.36 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.452 ' N ' HG13 ' A' ' 5' ' ' VAL . 55.9 m-20 -60.07 -38.4 82.75 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.646 ' N ' ' O ' ' A' ' 4' ' ' ALA . 0.2 OUTLIER -60.95 -37.59 82.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.25 178.347 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 t -44.54 -17.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.231 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 7' ' ' THR . 66.7 m -51.21 -41.11 60.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.205 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.22 -2.37 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.942 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 11' ' ' ILE . 3.3 mp 62.47 67.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -119.09 18.61 13.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.176 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -46.95 56.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.513 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.95 -38.87 89.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.024 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 24.8 m-20 -61.19 -35.33 76.86 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 16' ' ' LEU . 2.1 tt -54.53 -27.09 35.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.867 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.7 -34.45 12.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.916 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -71.51 -37.04 71.26 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.209 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.679 ' O ' HG22 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -73.98 -36.68 64.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.316 179.23 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -30.09 71.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.017 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.4 -46.22 89.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.013 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 19' ' ' LYS . 1.3 m -59.77 -34.4 55.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.945 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 92.0 t -59.67 -24.96 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 110.437 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' A' ' 26' ' ' ALA . 9.3 tt0 -51.53 -38.15 52.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.017 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.26 -14.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -66.8 -33.48 75.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.322 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.08 -14.38 54.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.244 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.649 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m -122.66 -87.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.677 ' O ' HG13 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -48.06 -37.32 14.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -59.31 -14.53 11.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.779 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.6 -19.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.58 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 2' ' ' ASP . 5.3 m -59.23 -39.63 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.463 ' N ' HG23 ' A' ' 5' ' ' VAL . 32.0 t0 -61.49 -39.96 92.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.9 m -62.34 -37.61 86.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.933 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 p -57.66 -18.29 19.65 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.699 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 p -57.61 -36.34 71.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.548 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.71 -26.96 67.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.285 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.755 HG23 ' O ' ' A' ' 11' ' ' ILE . 2.4 tt -144.53 87.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.381 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -68.1 -19.29 64.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.384 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.408 ' OG1' HG13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -55.82 -36.19 67.2 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.972 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -37.84 62.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.328 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.37 -40.49 68.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tp -53.98 -29.82 44.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.894 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -36.04 78.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.579 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.56 -44.3 91.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.691 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.892 ' O ' HG22 ' A' ' 22' ' ' VAL . 7.5 mttp -69.93 -41.09 75.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.039 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.568 ' O ' HG12 ' A' ' 23' ' ' VAL . 13.0 mmtt -62.58 -29.95 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.792 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 24' ' ' GLU . 38.1 tt0 -55.13 -40.76 70.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.671 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.892 HG22 ' O ' ' A' ' 19' ' ' LYS . 4.7 m -49.04 -35.32 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.442 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -59.08 -24.11 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.901 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' N ' ' A' ' 26' ' ' ALA . 2.4 tp10 -49.22 -37.74 24.09 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.818 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -49.26 -19.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . -69.81 -36.38 75.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.551 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.63 -27.6 64.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.614 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 28' ' ' ASN . 5.7 p-10 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.602 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.03 -14.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.679 0.276 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.71 -37.58 63.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.816 0.341 . . . . 0.0 110.636 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.5 -22.86 62.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.595 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -49.29 -27.27 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 6' ' ' ASP . 12.4 p -43.74 -37.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -59.89 -40.52 89.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.356 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 4' ' ' ALA . 43.4 p -63.3 -37.58 87.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.11 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.456 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 36.7 m -57.41 -15.22 6.1 Favored 'General case' 0 N--CA 1.46 0.042 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.74 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.9 p -57.68 -8.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.016 0.436 . . . . 0.0 110.085 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 11' ' ' ILE . 7.2 pt-20 -69.02 -41.81 77.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 8' ' ' SER . 4.8 pt -76.71 49.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.742 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.9 p -117.4 -27.05 6.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.457 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -35.58 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.391 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -73.99 -37.57 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.114 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -32.65 73.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.22 -29.25 45.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.362 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -62.75 -33.8 75.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.648 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -52.56 40.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -64.41 -36.21 83.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.368 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.724 ' O ' HG12 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -63.79 -35.22 79.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.23 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -56.19 -39.33 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.235 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.442 ' H ' HG23 ' A' ' 22' ' ' VAL . 3.0 t -59.13 -28.05 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.772 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.724 HG12 ' O ' ' A' ' 20' ' ' LYS . 3.3 p -50.53 -36.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.552 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.407 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 24.9 mt-10 -52.2 -37.96 56.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.955 0.407 . . . . 0.0 109.999 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.38 -14.21 4.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.068 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.32 -31.53 33.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.494 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.683 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -62.41 -5.5 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.683 ' ND2' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.67 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.94 -3.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.778 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.779 ' O ' HG22 ' A' ' 5' ' ' VAL . 2.8 m-20 -55.12 -38.03 67.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.72 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.76 -15.71 22.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.576 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -58.38 -21.08 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.513 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 2' ' ' ASP . 14.3 m -59.82 -39.15 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -41.33 97.2 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.576 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 80.9 p -63.1 -36.6 84.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.414 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.419 ' C ' ' N ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -45.47 -16.17 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.476 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -48.42 -17.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.558 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 11' ' ' ILE . 2.4 tt0 -69.49 -34.07 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.661 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER 31.38 -103.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.508 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.586 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.1 OUTLIER -150.95 44.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.715 -179.836 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.9 m -86.65 -50.59 6.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.7 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -74.17 -32.13 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.92 -33.75 74.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.175 0.512 . . . . 0.0 109.893 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tp -54.31 -29.04 46.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.859 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -59.87 -46.93 87.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.323 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.82 -38.52 91.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.861 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -37.93 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.031 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -62.89 -32.95 74.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.041 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -60.51 -34.72 74.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.113 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.419 ' C ' ' N ' ' A' ' 24' ' ' GLU . 66.6 t -57.55 -25.0 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.038 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 2.5 p -49.93 -16.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.241 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 22' ' ' VAL . 9.9 mt-10 -49.59 -37.41 27.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.002 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.74 -14.89 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.625 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -62.34 -29.91 70.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.391 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -68.37 -31.94 71.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.278 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.5 m120 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.454 -179.715 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -130.05 -56.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.016 0.436 . . . . 0.0 110.717 . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.713 ' O ' HG23 ' A' ' 5' ' ' VAL . 1.5 m-20 -50.42 -36.36 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.63 -34.75 62.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.003 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.56 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -59.77 -15.4 20.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.416 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 2' ' ' ASP . 71.5 t -57.01 -38.64 61.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.596 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.54 -41.3 94.19 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.446 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.56 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 41.9 p -63.73 -37.26 86.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.794 178.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.669 ' O ' HG22 ' A' ' 11' ' ' ILE . 1.3 p -48.37 -17.35 0.14 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.889 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 7' ' ' THR . 43.5 t -68.04 -33.71 75.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.611 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.6 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.6 mt-10 -69.16 -12.28 61.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.669 HG22 ' O ' ' A' ' 8' ' ' SER . 1.6 tt -66.63 24.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.027 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.6 ' H ' ' C ' ' A' ' 10' ' ' GLU . 15.2 p -135.35 -7.27 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.144 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 10' ' ' GLU . 2.4 t -50.72 -44.1 58.14 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.218 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' N ' HG23 ' A' ' 13' ' ' THR . 0.0 OUTLIER -74.15 -36.68 64.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.225 179.661 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -54.78 -40.45 69.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -55.01 -30.39 59.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.29 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -69.21 -54.84 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.022 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.68 -38.16 74.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.984 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.945 ' O ' HG22 ' A' ' 22' ' ' VAL . 1.9 tptp -73.34 -28.64 62.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.595 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -74.8 -31.42 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.264 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -63.71 -34.93 78.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.324 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.945 HG22 ' O ' ' A' ' 19' ' ' LYS . 2.5 m -59.54 -19.97 17.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.797 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 2.8 t -42.08 -32.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.903 0.382 . . . . 0.0 110.151 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.68 -37.34 75.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.859 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 22' ' ' VAL . 4.0 tt0 -56.38 -16.14 5.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.721 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -69.74 -47.63 62.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.816 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -79.48 -36.68 38.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.194 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.687 -179.694 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.408 ' O ' ' CB ' ' A' ' 1' ' ' SER . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 0' ' ' ACE . 1.0 OUTLIER 75.38 -3.19 2.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.774 0.321 . . . . 0.0 110.549 . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -48.88 -37.43 19.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.258 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.87 -26.26 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.837 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.6 77.16 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.732 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 t -61.7 -40.11 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.482 ' C ' ' OD1' ' A' ' 6' ' ' ASP . 4.4 t0 -60.89 -38.87 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.485 ' C ' ' N ' ' A' ' 9' ' ' SER . 22.1 m -61.08 -34.99 75.79 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.146 178.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' ILE . 4.5 m -47.16 -15.03 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.099 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.485 ' N ' ' C ' ' A' ' 7' ' ' THR . 83.7 p -48.91 -42.6 37.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.162 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.652 ' C ' HG23 ' A' ' 11' ' ' ILE . 1.3 mp0 -69.78 -0.25 6.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.334 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.652 HG23 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER 57.38 115.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.287 -179.327 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -149.04 41.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.089 -179.639 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.716 HG23 ' N ' ' A' ' 14' ' ' LYS . 14.8 t -50.25 -52.09 39.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.924 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.716 ' N ' HG23 ' A' ' 13' ' ' THR . 10.4 ttmt -73.42 -32.37 64.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.482 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -33.94 74.52 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -54.88 -29.3 55.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.636 178.855 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -53.83 -46.72 71.25 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.951 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.1 mt-10 -59.26 -46.12 89.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.839 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -71.54 -28.42 63.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' O ' HG12 ' A' ' 23' ' ' VAL . 11.9 ttpp -71.84 -34.19 69.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.385 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.24 -36.43 84.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.202 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.454 ' C ' ' N ' ' A' ' 24' ' ' GLU . 44.0 t -59.11 -25.8 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.544 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 20' ' ' LYS . 4.1 p -45.32 -18.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.462 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 22' ' ' VAL . 5.0 mm-40 -51.16 -37.36 45.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.168 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -56.39 -14.86 3.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.761 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -56.92 -25.36 57.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.356 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.522 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 9.0 mt-10 -76.85 -24.48 52.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.437 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.522 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 3.8 p-10 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.624 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p 57.4 8.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.511 ' O ' HG23 ' A' ' 5' ' ' VAL . 1.1 m-20 -52.6 -37.23 57.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.267 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.574 ' O ' ' OD2' ' A' ' 6' ' ' ASP . . . -59.61 -29.75 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.67 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.65 -26.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 2' ' ' ASP . 50.1 t -59.76 -38.5 76.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.728 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.686 ' OD1' ' N ' ' A' ' 7' ' ' THR . 2.8 p30 -60.06 -39.83 87.36 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.686 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 1.0 OUTLIER -61.69 -34.94 76.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.064 178.28 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.3 p -44.81 -16.72 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.318 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 7' ' ' THR . 8.8 m -48.34 -27.03 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.897 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 12' ' ' THR . 2.1 mt-10 -56.06 -25.27 44.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.266 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 10' ' ' GLU . 14.8 mt 66.05 -41.66 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.047 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 10' ' ' GLU . 3.8 t -73.1 6.39 2.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.982 0.42 . . . . 0.0 109.907 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.1 m -78.0 -40.98 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.889 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -75.1 -35.19 61.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.671 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -40.77 66.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -30.16 70.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.845 178.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -58.73 -36.31 74.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.098 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.567 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.8 mt-10 -57.98 -47.0 84.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.771 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -35.88 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.357 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -72.02 -29.9 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.038 179.594 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 3.3 tt0 -64.87 -41.04 95.98 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.649 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 18' ' ' GLU . 4.4 t -59.5 -36.05 62.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.028 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.589 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 62.1 t -56.37 -29.38 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.39 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.619 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 9.0 mp0 -49.91 -38.71 37.25 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.654 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.39 -22.26 19.11 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.696 -0.854 . . . . 0.0 108.696 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.609 ' C ' ' H ' ' A' ' 28' ' ' ASN . . . -70.21 -36.87 74.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.489 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -54.85 0.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.473 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.609 ' H ' ' C ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.494 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.3 m -94.53 -33.24 13.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.515 ' O ' HG13 ' A' ' 5' ' ' VAL . 38.0 t0 -59.08 -37.16 76.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.75 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -59.49 -25.41 64.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.459 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -50.71 -14.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.95 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 2' ' ' ASP . 19.1 m -59.62 -39.31 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.409 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.581 ' O ' ' OG ' ' A' ' 9' ' ' SER . 2.9 m-20 -60.84 -41.11 95.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 21.6 p -63.48 -29.66 70.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.973 178.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -48.27 -37.05 15.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.295 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.581 ' OG ' ' O ' ' A' ' 6' ' ' ASP . 0.2 OUTLIER -50.0 -30.87 11.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.68 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.48 -24.64 66.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.21 86.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.642 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -168.67 35.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.473 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 p -78.69 -53.29 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.558 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -72.31 -32.16 66.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.13 -33.29 71.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.941 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.68 -28.93 36.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.677 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -35.94 78.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -67.55 -34.68 77.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.199 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.562 ' O ' HG22 ' A' ' 22' ' ' VAL . 2.0 tmmm? -73.08 -42.4 63.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.09 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.71 ' O ' HG12 ' A' ' 23' ' ' VAL . 1.2 mttm -59.39 -32.7 70.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.022 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.12 -45.79 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.771 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -59.61 -33.64 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.276 -179.666 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -58.56 -21.91 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.382 -179.193 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -49.03 -37.53 20.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.356 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.29 -14.85 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.084 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.82 -19.29 65.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.399 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.661 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -64.24 -3.09 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.329 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.626 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.9 p -159.1 -89.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.308 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -48.02 -32.48 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.017 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.38 -26.88 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.124 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.13 -26.54 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.371 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 t -59.45 -37.98 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.843 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -39.2 84.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -37.48 85.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.061 178.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 t -55.32 -23.25 22.57 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.133 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -49.86 -24.51 2.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.739 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.28 -42.17 75.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.926 HG23 ' H ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -177.25 -109.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.685 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.926 ' H ' HG23 ' A' ' 11' ' ' ILE . 15.5 p 55.12 43.49 29.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.505 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.04 -56.28 9.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.326 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -71.51 -31.3 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.156 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -34.62 75.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.798 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -53.72 -29.11 37.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.45 179.572 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -65.31 -45.21 85.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.428 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -55.85 -44.73 78.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.161 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.969 ' O ' HG22 ' A' ' 22' ' ' VAL . 10.1 mttt -71.56 -28.39 63.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.97 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -29.85 65.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.495 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.14 -33.85 76.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.563 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.969 HG22 ' O ' ' A' ' 19' ' ' LYS . 2.8 m -59.31 -26.98 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.624 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.0 t -53.22 -17.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.136 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 26' ' ' ALA . 1.3 mm-40 -50.55 -37.31 38.79 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.3 -18.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.653 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . -66.61 -27.42 67.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 28' ' ' ASN . 2.6 mt-10 -78.9 -1.48 35.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.606 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.526 ' C ' ' O ' ' A' ' 27' ' ' GLU . 16.0 p30 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.553 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.508 ' C ' ' H ' ' A' ' 2' ' ' ASP . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.9 t 70.6 -37.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 0' ' ' ACE . 4.0 t0 -50.19 -36.84 32.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.48 -19.22 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.979 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.522 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -50.52 -21.12 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.147 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 6' ' ' ASP . 8.5 p -58.91 -38.53 73.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.125 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.447 ' N ' HG13 ' A' ' 5' ' ' VAL . 3.5 t0 -59.91 -39.08 84.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -61.48 -36.62 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.64 178.53 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -41.87 -23.94 0.04 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.239 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 7' ' ' THR . 22.4 p -54.69 -34.34 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.321 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.734 ' O ' HG22 ' A' ' 11' ' ' ILE . 9.9 tt0 -59.54 -16.59 25.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.463 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.734 HG22 ' O ' ' A' ' 10' ' ' GLU . 3.0 tp 94.37 148.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.557 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -105.95 8.82 32.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.456 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.0 m -68.21 -57.02 6.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.331 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -67.01 -34.17 77.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.004 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.541 ' OD2' ' OE1' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -60.74 -34.18 74.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -29.08 42.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -55.37 -32.23 62.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.269 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.541 ' OE1' ' OD2' ' A' ' 15' ' ' ASP . 4.7 mt-10 -54.66 -38.43 66.9 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -66.76 -33.59 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.736 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.83 -36.74 73.05 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 38.3 mt-10 -54.99 -34.3 63.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.148 179.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -34.91 46.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.192 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 25.8 t -59.3 -20.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.451 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 26.7 mt-10 -55.25 -37.62 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.371 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.39 -14.62 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.812 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -57.35 -29.97 64.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.524 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.494 ' O ' ' OXT' ' A' ' 28' ' ' ASN . 0.7 OUTLIER -72.0 -30.89 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.421 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.494 ' OXT' ' O ' ' A' ' 27' ' ' GLU . 65.3 t30 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.531 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 t -159.94 -91.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.573 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -50.78 -34.43 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.513 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.4 -18.75 41.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -44.92 -29.1 0.75 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.004 0.431 . . . . 0.0 110.123 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.502 ' O ' ' OG ' ' A' ' 8' ' ' SER . 6.3 p -42.96 -32.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.733 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -39.61 80.14 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 4' ' ' ALA . 32.0 m -62.21 -36.93 83.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.234 177.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 16.9 p -58.09 -19.0 28.68 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 p -64.47 -30.33 71.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.037 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.673 ' O ' ' N ' ' A' ' 12' ' ' THR . 20.3 tt0 -68.94 -34.02 74.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.878 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.871 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -20.19 79.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.509 -179.706 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.673 ' N ' ' O ' ' A' ' 10' ' ' GLU . 1.7 t -160.62 -49.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.132 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.604 ' N ' ' CG2' ' A' ' 12' ' ' THR . 1.0 OUTLIER -74.67 -27.58 60.48 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.73 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.87 -42.42 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.673 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.43 -37.48 72.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -29.72 45.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.724 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -36.16 74.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.797 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -58.16 -41.59 84.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.511 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -67.43 -43.96 79.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.468 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -30.14 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.132 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.21 -35.21 73.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.428 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.17 -27.17 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.667 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.7 t -54.85 -33.3 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.526 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.52 -37.62 57.89 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.485 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 81.0 mt-10 -53.94 -17.14 2.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.653 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.99 -34.41 56.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.514 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -48.23 -20.52 0.39 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.486 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.485 ' OD1' ' O ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.668 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.839 0.352 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 61.2 t0 -58.87 -36.36 74.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.45 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -56.02 -21.0 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.87 -14.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.637 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.45 ' N ' ' C ' ' A' ' 3' ' ' ALA . 2.1 p -56.58 -38.9 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.541 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.43 -40.11 89.89 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.639 ' O ' ' N ' ' A' ' 9' ' ' SER . 96.0 m -62.58 -35.95 81.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.608 178.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -41.33 -14.59 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.433 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -54.07 -41.23 67.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.759 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -9.48 52.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.639 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.2 mm 64.08 81.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.664 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.94 -36.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.8 -39.83 8.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -75.39 -35.64 61.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.367 179.127 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -54.31 -33.09 58.06 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.986 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.14 -30.13 35.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -70.03 -46.46 65.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.762 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 22' ' ' VAL . 35.1 tt0 -66.76 -43.45 84.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.581 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.421 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 9.4 tttp -56.58 -35.15 67.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.965 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' O ' HG12 ' A' ' 23' ' ' VAL . 7.3 tptp -75.6 -36.51 60.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -43.32 85.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' GLU . 15.5 m -60.9 -25.36 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.832 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 20' ' ' LYS . 2.7 p -43.35 -30.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.0 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -37.19 76.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.768 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' VAL . 8.1 tp10 -57.98 -14.61 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.813 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.313 179.783 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.842 0.353 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.718 ' O ' HG13 ' A' ' 5' ' ' VAL . 3.0 m-20 -54.92 -37.49 66.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.462 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.47 -27.81 66.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.578 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -47.06 -34.45 5.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.29 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 2' ' ' ASP . 29.7 m -41.08 -32.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.966 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -54.68 -40.83 69.49 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 40.4 p -63.65 -36.98 85.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.434 177.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m -56.92 -33.47 67.0 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.076 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.29 -40.94 75.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.787 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.03 -21.97 59.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.666 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 11' ' ' ILE . 10.0 mt -94.31 108.1 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.722 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.0 28.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 78.1 m -68.04 -50.85 52.76 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.766 ' CD ' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.44 -30.86 69.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.803 179.25 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -29.73 68.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.98 -29.19 41.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.42 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -60.46 -49.15 78.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.017 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -64.53 -45.71 86.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.732 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -36.61 79.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.72 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.753 ' O ' HG12 ' A' ' 23' ' ' VAL . 17.2 ttmt -65.7 -40.91 92.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.055 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -56.73 -43.04 80.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.069 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.29 -22.39 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.358 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 20' ' ' LYS . 3.0 p -52.6 -23.41 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.44 -37.14 36.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 109.813 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -55.35 -15.14 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.606 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.971 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.909 0.385 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -37.14 63.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.009 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.22 -25.98 64.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.462 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -55.84 -26.39 46.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.12 -39.14 77.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.457 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' SER . 9.3 m-20 -60.28 -40.76 91.59 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 7.1 p -63.2 -36.95 85.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.81 178.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 t -47.58 -23.7 0.72 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.395 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -55.16 -41.04 71.34 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.816 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.04 -14.53 62.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.707 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 pt -146.44 99.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.978 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.33 -66.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.151 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -48.55 -42.14 32.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.887 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -74.66 -34.94 62.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.088 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -30.95 69.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.133 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mt -53.24 -28.58 28.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -67.51 -32.12 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.457 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.5 tt0 -63.89 -30.13 71.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.984 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -67.57 -41.13 84.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.112 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 26.7 mmtm -72.54 -29.6 63.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 109.943 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.25 -38.33 71.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.324 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 18' ' ' GLU . 56.1 t -60.88 -41.1 87.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.855 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.525 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 7.1 m -62.4 -37.46 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.591 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -49.69 -38.29 32.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -59.35 -14.36 11.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.437 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.878 0.37 . . . . 0.0 110.634 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.61 -36.29 23.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.478 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 5' ' ' VAL . . . -57.21 -25.03 58.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -45.2 -14.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.337 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.589 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.5 t -41.03 -37.3 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -59.83 -40.56 88.91 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.676 ' N ' ' O ' ' A' ' 4' ' ' ALA . 26.6 p -63.19 -20.39 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.575 177.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.589 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 78.5 p -36.82 -22.48 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.775 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.674 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -50.25 -47.13 55.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.57 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 4.3 mt-10 -69.77 3.14 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.115 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.6 ' O ' ' CB ' ' A' ' 12' ' ' THR . 4.4 pt 54.65 -155.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.05 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.6 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.4 m 89.13 -14.02 0.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.191 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.2 m -59.12 -48.08 82.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.309 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -68.15 -37.24 80.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.946 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.81 -34.6 67.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.646 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -53.87 -29.64 42.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.217 179.394 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -69.42 -38.61 77.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.334 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -37.99 58.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.027 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.736 ' O ' HG12 ' A' ' 22' ' ' VAL . 17.5 tttt -73.41 -31.6 63.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.435 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -74.57 -32.17 62.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.417 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.529 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -69.64 -39.82 76.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.375 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 19' ' ' LYS . 2.1 p -60.01 -27.14 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.522 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 16.0 t -52.66 -37.58 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.521 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.5 -39.63 84.41 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.556 ' OE1' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -60.95 -14.3 21.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 109.662 179.15 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.708 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -59.23 -33.95 71.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.686 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.412 ' O ' ' OD2' ' A' ' 6' ' ' ASP . . . -57.78 -19.77 30.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.737 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.15 -19.32 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -59.46 -38.2 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.563 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.412 ' OD2' ' O ' ' A' ' 3' ' ' ALA . 7.8 m-20 -59.56 -40.37 87.13 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -62.51 -36.59 83.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.229 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 10' ' ' GLU . 3.9 t -47.7 -25.91 1.37 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.774 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.34 -20.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.071 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 8' ' ' SER . 0.6 OUTLIER -69.51 -43.55 72.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.405 179.683 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' SER . 3.4 pt -129.94 129.49 65.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.42 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.9 p -122.07 16.46 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.751 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -50.48 65.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.686 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -66.02 -37.17 85.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.254 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.67 -31.27 72.39 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.584 HD21 ' NZ ' ' A' ' 20' ' ' LYS . 6.3 tp -54.25 -28.73 43.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.439 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -52.22 -43.18 64.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.612 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -40.89 86.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.568 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 28.5 mttp -69.33 -33.08 72.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.377 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.584 ' NZ ' HD21 ' A' ' 16' ' ' LEU . 9.7 mmtp -73.95 -29.62 62.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.985 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -66.49 -45.29 80.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 3.7 m -60.34 -30.67 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.821 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 74.7 t -52.12 -33.88 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -49.85 -37.74 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.36 -13.76 6.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.532 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.892 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.679 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 6.3 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.856 0.36 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.679 ' N ' ' OG ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -48.86 -34.24 12.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.537 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.16 -21.94 25.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.537 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.7 -34.23 69.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.329 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.9 t -58.38 -38.18 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.39 -38.51 80.7 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.6 m -60.62 -37.11 80.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.144 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -57.23 -21.91 37.25 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.886 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -53.03 -25.5 12.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.334 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.96 -39.57 71.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.127 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.836 HG22 ' H ' ' A' ' 12' ' ' THR . 3.3 mm -111.04 -161.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.7 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.836 ' H ' HG22 ' A' ' 11' ' ' ILE . 68.5 p 46.12 21.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.383 . . . . 0.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -63.24 -43.82 96.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.303 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -37.56 76.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.099 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.29 -33.03 74.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.26 -28.27 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.954 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -47.88 -32.88 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.438 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 18' ' ' GLU . 1.1 mp0 -65.42 -39.77 92.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.318 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.699 ' O ' HG12 ' A' ' 22' ' ' VAL . 16.4 mttp -64.62 -46.57 82.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.473 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.553 ' O ' HG12 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -64.68 -39.26 93.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.941 179.696 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' O ' ' CD ' ' A' ' 24' ' ' GLU . 2.1 tp10 -56.64 -32.8 65.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.819 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -58.38 -20.75 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.146 179.67 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 20' ' ' LYS . 11.5 p -41.92 -22.18 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.241 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.556 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 1.3 mp0 -49.88 -36.24 26.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.772 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -53.09 -17.52 1.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.43 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.588 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 1.7 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.909 0.385 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.588 ' N ' ' OG ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -47.74 -32.0 5.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.584 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.99 -24.42 58.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.182 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.677 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -58.94 -13.65 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.478 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 6' ' ' ASP . 2.6 p -41.11 -38.86 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.482 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 7.5 t0 -60.58 -39.47 88.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.677 ' N ' ' O ' ' A' ' 4' ' ' ALA . 28.0 m -62.27 -38.12 88.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.81 178.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -16.21 0.12 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.575 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 7' ' ' THR . 25.1 m -52.2 -18.13 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.301 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.69 ' O ' HG22 ' A' ' 11' ' ' ILE . 1.1 mm-40 -65.99 -24.75 66.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.161 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.69 HG22 ' O ' ' A' ' 10' ' ' GLU . 20.8 tt 48.08 -3.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.583 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.68 ' H ' ' C ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -65.76 -32.84 74.61 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.201 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.445 ' H ' HG23 ' A' ' 13' ' ' THR . 0.1 OUTLIER -66.82 -31.2 71.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.915 179.558 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -73.2 -41.47 63.76 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.02 -37.58 71.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.23 -30.14 59.42 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.458 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -40.15 73.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.268 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -57.32 -40.15 77.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.221 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.961 ' O ' HG22 ' A' ' 22' ' ' VAL . 10.8 tttt -72.86 -38.55 67.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.977 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -70.53 -29.49 65.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.55 -41.34 97.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.194 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.961 HG22 ' O ' ' A' ' 19' ' ' LYS . 7.0 m -59.34 -28.18 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.248 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 94.9 t -59.05 -37.19 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.111 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -56.89 -37.49 71.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.937 0.399 . . . . 0.0 110.141 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 25' ' ' GLU . 52.1 mt-10 -57.65 -14.51 5.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.661 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.168 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.678 0.275 . . . . 0.0 110.576 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.584 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.3 OUTLIER -52.18 -36.77 52.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -50.3 -28.01 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.997 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 7' ' ' THR . . . -46.01 -22.33 0.2 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.188 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' A' ' 8' ' ' SER . 4.0 t -50.07 -37.84 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.57 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -38.9 82.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 4' ' ' ALA . 59.2 m -60.83 -34.76 75.06 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 1.6 m -42.95 -30.08 0.38 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.722 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 p -53.21 -46.67 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.999 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.589 ' O ' ' O ' ' A' ' 11' ' ' ILE . 2.3 mm-40 -61.94 -11.05 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.874 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.664 ' O ' ' CB ' ' A' ' 12' ' ' THR . 23.2 pt 38.43 -172.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.272 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.664 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 91.8 m 123.47 -4.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.188 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -49.02 12.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.089 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.99 -33.48 63.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.097 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -57.31 -36.9 71.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.197 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -30.94 47.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.433 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -70.6 -33.19 70.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.407 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.741 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.0 tp10 -60.72 -33.83 73.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.153 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 23' ' ' VAL . 16.0 mtmt -62.33 -41.82 98.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.056 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.544 ' H ' ' HD2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.25 -50.89 50.81 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.879 179.642 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.84 -36.12 82.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.687 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 18' ' ' GLU . 6.3 t -59.9 -34.21 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.019 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 19' ' ' LYS . 37.4 t -46.44 -28.58 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.599 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.41 -37.95 79.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.471 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -59.19 -14.33 10.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.043 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.505 179.773 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.971 0.415 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -37.16 78.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.651 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.436 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -54.37 -25.38 24.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -45.85 -20.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 3' ' ' ALA . 8.7 p -49.81 -37.55 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.979 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' A' ' 7' ' ' THR . 6.1 p30 -57.3 -39.65 76.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.643 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 57.1 m -61.92 -36.63 81.93 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.621 ' O ' HG22 ' A' ' 11' ' ' ILE . 4.3 t -50.52 -37.31 38.45 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.587 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.27 -21.57 1.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.445 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.99 -36.78 78.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.609 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 8' ' ' SER . 4.7 tt -83.84 22.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.505 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.435 ' O ' HG22 ' A' ' 12' ' ' THR . 58.7 m -95.06 -11.94 27.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.986 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.0 m -55.63 -49.18 73.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.973 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -73.55 -32.53 64.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -66.02 -27.42 68.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.98 -30.55 35.73 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -70.63 -40.07 73.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.843 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -68.72 -43.01 76.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.358 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.819 ' O ' HG22 ' A' ' 22' ' ' VAL . 6.6 tptp -60.46 -38.54 84.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.946 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.851 ' O ' HG22 ' A' ' 23' ' ' VAL . 6.9 ttpt -73.94 -30.01 62.33 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.91 -31.25 68.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.898 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 19' ' ' LYS . 3.4 m -52.52 -31.78 16.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.083 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.851 HG22 ' O ' ' A' ' 20' ' ' LYS . 3.9 m -59.03 -37.28 66.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.942 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -59.79 -37.0 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -16.72 4.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.529 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.62 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.832 0.348 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 46.3 t0 -48.22 -37.38 15.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.16 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.333 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.646 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -53.01 -21.03 3.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.46 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 6' ' ' ASP . 13.9 p -43.79 -38.36 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.452 ' N ' HG13 ' A' ' 5' ' ' VAL . 55.9 m-20 -60.07 -38.4 82.75 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.646 ' N ' ' O ' ' A' ' 4' ' ' ALA . 0.2 OUTLIER -60.95 -37.59 82.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.25 178.347 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 t -44.54 -17.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.231 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 7' ' ' THR . 66.7 m -51.21 -41.11 60.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.205 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.22 -2.37 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.942 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 11' ' ' ILE . 3.3 mp 62.47 67.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -119.09 18.61 13.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.176 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -46.95 56.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.513 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.95 -38.87 89.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.024 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 24.8 m-20 -61.19 -35.33 76.86 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 16' ' ' LEU . 2.1 tt -54.53 -27.09 35.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.867 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.7 -34.45 12.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.916 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -71.51 -37.04 71.26 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.209 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.679 ' O ' HG22 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -73.98 -36.68 64.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.316 179.23 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -30.09 71.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.017 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.4 -46.22 89.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.013 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 19' ' ' LYS . 1.3 m -59.77 -34.4 55.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.945 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 92.0 t -59.67 -24.96 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 110.437 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' A' ' 26' ' ' ALA . 9.3 tt0 -51.53 -38.15 52.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.017 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.26 -14.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.322 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.784 0.326 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.677 ' O ' HG13 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -48.06 -37.32 14.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -59.31 -14.53 11.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.779 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.6 -19.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.58 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 2' ' ' ASP . 5.3 m -59.23 -39.63 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.463 ' N ' HG23 ' A' ' 5' ' ' VAL . 32.0 t0 -61.49 -39.96 92.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.9 m -62.34 -37.61 86.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.933 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 p -57.66 -18.29 19.65 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.699 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 p -57.61 -36.34 71.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.548 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.71 -26.96 67.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.285 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.755 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.4 tt -144.53 87.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.381 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -68.1 -19.29 64.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.384 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.408 ' OG1' HG13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -55.82 -36.19 67.2 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.972 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -37.84 62.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.328 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.37 -40.49 68.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tp -53.98 -29.82 44.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.894 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -36.04 78.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.579 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.56 -44.3 91.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.691 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.892 ' O ' HG22 ' A' ' 22' ' ' VAL . 7.5 mttp -69.93 -41.09 75.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.039 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.568 ' O ' HG12 ' A' ' 23' ' ' VAL . 13.0 mmtt -62.58 -29.95 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.792 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 24' ' ' GLU . 38.1 tt0 -55.13 -40.76 70.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.671 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.892 HG22 ' O ' ' A' ' 19' ' ' LYS . 4.7 m -49.04 -35.32 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.442 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -59.08 -24.11 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.901 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' N ' ' A' ' 26' ' ' ALA . 2.4 tp10 -49.22 -37.74 24.09 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.818 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -49.26 -19.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.551 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.679 0.276 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.71 -37.58 63.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.816 0.341 . . . . 0.0 110.636 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.5 -22.86 62.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.595 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -49.29 -27.27 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 6' ' ' ASP . 12.4 p -43.74 -37.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -59.89 -40.52 89.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.356 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 4' ' ' ALA . 43.4 p -63.3 -37.58 87.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.11 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.456 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 36.7 m -57.41 -15.22 6.1 Favored 'General case' 0 N--CA 1.46 0.042 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.74 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.9 p -57.68 -8.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.016 0.436 . . . . 0.0 110.085 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 11' ' ' ILE . 7.2 pt-20 -69.02 -41.81 77.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 8' ' ' SER . 4.8 pt -76.71 49.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.742 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.9 p -117.4 -27.05 6.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.457 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -35.58 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.391 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -73.99 -37.57 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.114 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -32.65 73.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.22 -29.25 45.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.362 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -62.75 -33.8 75.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.648 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -52.56 40.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -64.41 -36.21 83.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.368 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.724 ' O ' HG12 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -63.79 -35.22 79.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.23 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -56.19 -39.33 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.235 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 22' ' ' VAL . 3.0 t -59.13 -28.05 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.772 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.724 HG12 ' O ' ' A' ' 20' ' ' LYS . 3.3 p -50.53 -36.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.552 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.407 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 24.9 mt-10 -52.2 -37.96 56.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.955 0.407 . . . . 0.0 109.999 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.38 -14.21 4.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.068 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.494 179.862 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.634 0.254 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.779 ' O ' HG22 ' A' ' 5' ' ' VAL . 2.8 m-20 -55.12 -38.03 67.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.72 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.76 -15.71 22.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.576 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -58.38 -21.08 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.513 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 2' ' ' ASP . 14.3 m -59.82 -39.15 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -41.33 97.2 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.576 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 80.9 p -63.1 -36.6 84.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.414 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.419 ' C ' ' N ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -45.47 -16.17 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.476 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -48.42 -17.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.558 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 11' ' ' ILE . 2.4 tt0 -69.49 -34.07 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.661 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER 31.38 -103.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.508 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.586 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.1 OUTLIER -150.95 44.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.715 -179.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.9 m -86.65 -50.59 6.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.7 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -74.17 -32.13 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.92 -33.75 74.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.175 0.512 . . . . 0.0 109.893 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tp -54.31 -29.04 46.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.859 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -59.87 -46.93 87.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.323 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.82 -38.52 91.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.861 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -37.93 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.031 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -62.89 -32.95 74.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.041 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -60.51 -34.72 74.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.113 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.419 ' C ' ' N ' ' A' ' 24' ' ' GLU . 66.6 t -57.55 -25.0 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.038 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 2.5 p -49.93 -16.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.241 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 22' ' ' VAL . 9.9 mt-10 -49.59 -37.41 27.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.002 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.74 -14.89 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.625 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.391 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.016 0.436 . . . . 0.0 110.717 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.713 ' O ' HG23 ' A' ' 5' ' ' VAL . 1.5 m-20 -50.42 -36.36 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.63 -34.75 62.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.003 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.56 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -59.77 -15.4 20.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.416 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 2' ' ' ASP . 71.5 t -57.01 -38.64 61.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.596 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.54 -41.3 94.19 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.446 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.56 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 41.9 p -63.73 -37.26 86.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.794 178.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.669 ' O ' HG22 ' A' ' 11' ' ' ILE . 1.3 p -48.37 -17.35 0.14 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.889 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 7' ' ' THR . 43.5 t -68.04 -33.71 75.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.611 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.6 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.6 mt-10 -69.16 -12.28 61.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.669 HG22 ' O ' ' A' ' 8' ' ' SER . 1.6 tt -66.63 24.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.027 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.6 ' H ' ' C ' ' A' ' 10' ' ' GLU . 15.2 p -135.35 -7.27 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.144 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 10' ' ' GLU . 2.4 t -50.72 -44.1 58.14 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.218 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' N ' HG23 ' A' ' 13' ' ' THR . 0.0 OUTLIER -74.15 -36.68 64.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.225 179.661 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -54.78 -40.45 69.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -55.01 -30.39 59.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.29 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -69.21 -54.84 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.022 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.68 -38.16 74.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.984 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.945 ' O ' HG22 ' A' ' 22' ' ' VAL . 1.9 tptp -73.34 -28.64 62.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.595 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -74.8 -31.42 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.264 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -63.71 -34.93 78.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.324 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.945 HG22 ' O ' ' A' ' 19' ' ' LYS . 2.5 m -59.54 -19.97 17.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.797 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 2.8 t -42.08 -32.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.903 0.382 . . . . 0.0 110.151 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.68 -37.34 75.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.859 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 22' ' ' VAL . 4.0 tt0 -56.38 -16.14 5.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.721 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.816 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.774 0.321 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -48.88 -37.43 19.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.258 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.87 -26.26 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.837 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.6 77.16 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.732 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 t -61.7 -40.11 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.482 ' C ' ' OD1' ' A' ' 6' ' ' ASP . 4.4 t0 -60.89 -38.87 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.485 ' C ' ' N ' ' A' ' 9' ' ' SER . 22.1 m -61.08 -34.99 75.79 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.146 178.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' ILE . 4.5 m -47.16 -15.03 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.099 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.485 ' N ' ' C ' ' A' ' 7' ' ' THR . 83.7 p -48.91 -42.6 37.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.162 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.652 ' C ' HG23 ' A' ' 11' ' ' ILE . 1.3 mp0 -69.78 -0.25 6.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.334 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.652 HG23 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER 57.38 115.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.287 -179.327 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -149.04 41.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.089 -179.639 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.716 HG23 ' N ' ' A' ' 14' ' ' LYS . 14.8 t -50.25 -52.09 39.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.924 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.716 ' N ' HG23 ' A' ' 13' ' ' THR . 10.4 ttmt -73.42 -32.37 64.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.482 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -33.94 74.52 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -54.88 -29.3 55.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.636 178.855 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -53.83 -46.72 71.25 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.951 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.1 mt-10 -59.26 -46.12 89.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.839 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -71.54 -28.42 63.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' O ' HG12 ' A' ' 23' ' ' VAL . 11.9 ttpp -71.84 -34.19 69.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.385 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.24 -36.43 84.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.202 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.454 ' C ' ' N ' ' A' ' 24' ' ' GLU . 44.0 t -59.11 -25.8 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.544 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 20' ' ' LYS . 4.1 p -45.32 -18.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.462 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 22' ' ' VAL . 5.0 mm-40 -51.16 -37.36 45.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.168 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -56.39 -14.86 3.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.761 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.356 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.753 0.311 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.511 ' O ' HG23 ' A' ' 5' ' ' VAL . 1.1 m-20 -52.6 -37.23 57.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.267 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.574 ' O ' ' OD2' ' A' ' 6' ' ' ASP . . . -59.61 -29.75 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.67 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.65 -26.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 2' ' ' ASP . 50.1 t -59.76 -38.5 76.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.728 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.686 ' OD1' ' N ' ' A' ' 7' ' ' THR . 2.8 p30 -60.06 -39.83 87.36 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.686 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 1.0 OUTLIER -61.69 -34.94 76.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.064 178.28 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.3 p -44.81 -16.72 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.318 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 7' ' ' THR . 8.8 m -48.34 -27.03 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.897 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 12' ' ' THR . 2.1 mt-10 -56.06 -25.27 44.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.266 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 10' ' ' GLU . 14.8 mt 66.05 -41.66 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.047 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 10' ' ' GLU . 3.8 t -73.1 6.39 2.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.982 0.42 . . . . 0.0 109.907 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.1 m -78.0 -40.98 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.889 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -75.1 -35.19 61.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.671 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -40.77 66.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -30.16 70.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.845 178.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -58.73 -36.31 74.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.098 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.567 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.8 mt-10 -57.98 -47.0 84.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.771 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -35.88 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.357 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -72.02 -29.9 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.038 179.594 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 3.3 tt0 -64.87 -41.04 95.98 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.649 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 18' ' ' GLU . 4.4 t -59.5 -36.05 62.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.028 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.589 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 62.1 t -56.37 -29.38 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.39 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.619 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 9.0 mp0 -49.91 -38.71 37.25 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.654 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.39 -22.26 19.11 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.696 -0.854 . . . . 0.0 108.696 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.489 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.806 0.336 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.515 ' O ' HG13 ' A' ' 5' ' ' VAL . 38.0 t0 -59.08 -37.16 76.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.75 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -59.49 -25.41 64.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.459 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -50.71 -14.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.95 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 2' ' ' ASP . 19.1 m -59.62 -39.31 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.409 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.581 ' O ' ' OG ' ' A' ' 9' ' ' SER . 2.9 m-20 -60.84 -41.11 95.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 21.6 p -63.48 -29.66 70.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.973 178.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -48.27 -37.05 15.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.295 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.581 ' OG ' ' O ' ' A' ' 6' ' ' ASP . 0.2 OUTLIER -50.0 -30.87 11.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.68 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.48 -24.64 66.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.21 86.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.642 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -168.67 35.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.473 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 p -78.69 -53.29 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.558 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -72.31 -32.16 66.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.13 -33.29 71.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.941 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.68 -28.93 36.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.677 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -35.94 78.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -67.55 -34.68 77.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.199 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.562 ' O ' HG22 ' A' ' 22' ' ' VAL . 2.0 tmmm? -73.08 -42.4 63.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.09 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.71 ' O ' HG12 ' A' ' 23' ' ' VAL . 1.2 mttm -59.39 -32.7 70.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.022 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.12 -45.79 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.771 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -59.61 -33.64 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.276 -179.666 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -58.56 -21.91 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.382 -179.193 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -49.03 -37.53 20.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.356 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.29 -14.85 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.084 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.399 179.872 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.748 0.308 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -48.02 -32.48 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.017 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.38 -26.88 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.124 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.13 -26.54 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.371 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 t -59.45 -37.98 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.843 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -39.2 84.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -37.48 85.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.061 178.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 t -55.32 -23.25 22.57 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.133 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -49.86 -24.51 2.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.739 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.28 -42.17 75.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.926 HG23 ' H ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -177.25 -109.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.685 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.926 ' H ' HG23 ' A' ' 11' ' ' ILE . 15.5 p 55.12 43.49 29.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.505 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.04 -56.28 9.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.326 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -71.51 -31.3 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.156 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -34.62 75.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.798 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -53.72 -29.11 37.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.45 179.572 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -65.31 -45.21 85.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.428 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -55.85 -44.73 78.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.161 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.969 ' O ' HG22 ' A' ' 22' ' ' VAL . 10.1 mttt -71.56 -28.39 63.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.97 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -29.85 65.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.495 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.14 -33.85 76.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.563 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.969 HG22 ' O ' ' A' ' 19' ' ' LYS . 2.8 m -59.31 -26.98 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.624 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.0 t -53.22 -17.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.136 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 26' ' ' ALA . 1.3 mm-40 -50.55 -37.31 38.79 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.3 -18.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.653 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.847 0.356 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -50.19 -36.84 32.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.48 -19.22 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.979 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.522 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -50.52 -21.12 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.147 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 6' ' ' ASP . 8.5 p -58.91 -38.53 73.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.125 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.447 ' N ' HG13 ' A' ' 5' ' ' VAL . 3.5 t0 -59.91 -39.08 84.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -61.48 -36.62 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.64 178.53 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -41.87 -23.94 0.04 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.239 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 7' ' ' THR . 22.4 p -54.69 -34.34 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.321 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.734 ' O ' HG22 ' A' ' 11' ' ' ILE . 9.9 tt0 -59.54 -16.59 25.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.463 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.734 HG22 ' O ' ' A' ' 10' ' ' GLU . 3.0 tp 94.37 148.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.557 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -105.95 8.82 32.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.456 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.0 m -68.21 -57.02 6.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.331 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -67.01 -34.17 77.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.004 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.541 ' OD2' ' OE1' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -60.74 -34.18 74.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -29.08 42.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -55.37 -32.23 62.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.269 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.541 ' OE1' ' OD2' ' A' ' 15' ' ' ASP . 4.7 mt-10 -54.66 -38.43 66.9 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -66.76 -33.59 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.736 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.83 -36.74 73.05 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 38.3 mt-10 -54.99 -34.3 63.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.148 179.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -34.91 46.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.192 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 25.8 t -59.3 -20.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.451 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 26.7 mt-10 -55.25 -37.62 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.371 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.39 -14.62 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.812 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.524 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.798 0.332 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.573 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -50.78 -34.43 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.513 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.4 -18.75 41.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -44.92 -29.1 0.75 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.004 0.431 . . . . 0.0 110.123 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.502 ' O ' ' OG ' ' A' ' 8' ' ' SER . 6.3 p -42.96 -32.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.733 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -39.61 80.14 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 4' ' ' ALA . 32.0 m -62.21 -36.93 83.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.234 177.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 16.9 p -58.09 -19.0 28.68 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 p -64.47 -30.33 71.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.037 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.673 ' O ' ' N ' ' A' ' 12' ' ' THR . 20.3 tt0 -68.94 -34.02 74.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.878 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.871 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -20.19 79.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.509 -179.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.673 ' N ' ' O ' ' A' ' 10' ' ' GLU . 1.7 t -160.62 -49.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.132 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.604 ' N ' ' CG2' ' A' ' 12' ' ' THR . 1.0 OUTLIER -74.67 -27.58 60.48 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.73 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.87 -42.42 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.673 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.43 -37.48 72.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -29.72 45.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.724 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -36.16 74.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.797 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -58.16 -41.59 84.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.511 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -67.43 -43.96 79.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.468 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -30.14 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.132 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.21 -35.21 73.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.428 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.17 -27.17 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.667 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.7 t -54.85 -33.3 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.526 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.52 -37.62 57.89 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -53.94 -17.14 2.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.653 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.514 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.056 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -29.44 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.528 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 61.2 t0 -58.87 -36.36 74.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.45 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -56.02 -21.0 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.87 -14.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.637 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.45 ' N ' ' C ' ' A' ' 3' ' ' ALA . 2.1 p -56.58 -38.9 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.541 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.43 -40.11 89.89 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.639 ' O ' ' N ' ' A' ' 9' ' ' SER . 96.0 m -62.58 -35.95 81.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.608 178.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -41.33 -14.59 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.433 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -54.07 -41.23 67.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.759 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -9.48 52.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.639 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.2 mm 64.08 81.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.664 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.94 -36.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.8 -39.83 8.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -75.39 -35.64 61.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.367 179.127 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -54.31 -33.09 58.06 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.986 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.14 -30.13 35.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -70.03 -46.46 65.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.762 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 22' ' ' VAL . 35.1 tt0 -66.76 -43.45 84.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.581 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 9.4 tttp -56.58 -35.15 67.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.965 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' O ' HG12 ' A' ' 23' ' ' VAL . 7.3 tptp -75.6 -36.51 60.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -43.32 85.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' GLU . 15.5 m -60.9 -25.36 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.832 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 20' ' ' LYS . 2.7 p -43.35 -30.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.0 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -37.19 76.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.768 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 28' ' ' ASN . 8.1 tp10 -57.98 -14.61 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.813 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 28' ' ' ASN . . . -42.69 -26.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.313 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 25' ' ' GLU . 31.8 mt-10 -70.78 4.73 2.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.178 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.558 ' N ' ' O ' ' A' ' 25' ' ' GLU . 2.6 t-20 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.59 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m -62.63 -19.48 63.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.353 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.718 ' O ' HG13 ' A' ' 5' ' ' VAL . 3.0 m-20 -54.92 -37.49 66.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.462 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.47 -27.81 66.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.578 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -47.06 -34.45 5.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.29 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 2' ' ' ASP . 29.7 m -41.08 -32.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.966 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -54.68 -40.83 69.49 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 40.4 p -63.65 -36.98 85.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.434 177.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m -56.92 -33.47 67.0 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.076 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.29 -40.94 75.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.787 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.03 -21.97 59.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.666 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 11' ' ' ILE . 10.0 mt -94.31 108.1 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.722 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.0 28.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 78.1 m -68.04 -50.85 52.76 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.766 ' CD ' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.44 -30.86 69.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.803 179.25 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -29.73 68.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.98 -29.19 41.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.42 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -60.46 -49.15 78.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.017 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -64.53 -45.71 86.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.732 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -36.61 79.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.72 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.753 ' O ' HG12 ' A' ' 23' ' ' VAL . 17.2 ttmt -65.7 -40.91 92.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.055 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -56.73 -43.04 80.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.069 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.29 -22.39 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.358 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 20' ' ' LYS . 3.0 p -52.6 -23.41 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.44 -37.14 36.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 109.813 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.525 ' O ' ' OXT' ' A' ' 28' ' ' ASN . 40.4 tt0 -55.35 -15.14 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.606 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -61.74 -25.91 67.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.971 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.61 -11.49 60.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.27 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.525 ' OXT' ' O ' ' A' ' 25' ' ' GLU . 1.1 t-20 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.412 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.471 ' C ' ' H ' ' A' ' 2' ' ' ASP . . . . . . . . 0 C--O 1.232 0.157 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.16 2.97 0.47 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.909 0.385 . . . . 0.0 110.422 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 0' ' ' ACE . 0.0 OUTLIER -54.09 -37.14 63.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.009 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.22 -25.98 64.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.462 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -55.84 -26.39 46.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.12 -39.14 77.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.457 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' SER . 9.3 m-20 -60.28 -40.76 91.59 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 7.1 p -63.2 -36.95 85.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.81 178.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 t -47.58 -23.7 0.72 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.395 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -55.16 -41.04 71.34 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.816 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.04 -14.53 62.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.707 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 pt -146.44 99.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.978 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.33 -66.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.151 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -48.55 -42.14 32.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.887 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -74.66 -34.94 62.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.088 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -30.95 69.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.133 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mt -53.24 -28.58 28.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -67.51 -32.12 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.457 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.5 tt0 -63.89 -30.13 71.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.984 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -67.57 -41.13 84.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.112 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 26.7 mmtm -72.54 -29.6 63.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 109.943 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.25 -38.33 71.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.324 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 18' ' ' GLU . 56.1 t -60.88 -41.1 87.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.855 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.525 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 7.1 m -62.4 -37.46 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.591 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -49.69 -38.29 32.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.651 ' O ' ' N ' ' A' ' 28' ' ' ASN . 27.1 tt0 -59.35 -14.36 11.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 23' ' ' VAL . . . -39.42 -32.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.437 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.55 -28.98 46.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.525 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.651 ' N ' ' O ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.668 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.537 ' C ' ' H ' ' A' ' 2' ' ' ASP . . . . . . . . 0 C--O 1.232 0.16 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.77 -35.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.634 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 0' ' ' ACE . 0.2 OUTLIER -49.61 -36.29 23.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.478 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 5' ' ' VAL . . . -57.21 -25.03 58.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -45.2 -14.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.337 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.589 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.5 t -41.03 -37.3 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -59.83 -40.56 88.91 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.676 ' N ' ' O ' ' A' ' 4' ' ' ALA . 26.6 p -63.19 -20.39 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.575 177.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.589 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 78.5 p -36.82 -22.48 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.775 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.674 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -50.25 -47.13 55.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.57 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 4.3 mt-10 -69.77 3.14 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.115 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.6 ' O ' ' CB ' ' A' ' 12' ' ' THR . 4.4 pt 54.65 -155.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.05 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.6 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.4 m 89.13 -14.02 0.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.191 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.2 m -59.12 -48.08 82.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.309 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -68.15 -37.24 80.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.946 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.81 -34.6 67.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.646 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -53.87 -29.64 42.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.217 179.394 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -69.42 -38.61 77.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.334 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -37.99 58.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.027 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.736 ' O ' HG12 ' A' ' 22' ' ' VAL . 17.5 tttt -73.41 -31.6 63.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.435 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -74.57 -32.17 62.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.417 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.529 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -69.64 -39.82 76.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.375 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 19' ' ' LYS . 2.1 p -60.01 -27.14 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.522 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 16.0 t -52.66 -37.58 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.521 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.5 -39.63 84.41 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.556 ' OE1' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -60.95 -14.3 21.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 109.662 179.15 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -42.9 -34.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.708 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.521 ' O ' ' OXT' ' A' ' 28' ' ' ASN . 25.0 pt-20 -52.82 -9.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.532 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.521 ' OXT' ' O ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.2 -26.92 0.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.831 0.348 . . . . 0.0 110.476 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -59.23 -33.95 71.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.686 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.412 ' O ' ' OD2' ' A' ' 6' ' ' ASP . . . -57.78 -19.77 30.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.737 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.15 -19.32 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -59.46 -38.2 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.563 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.412 ' OD2' ' O ' ' A' ' 3' ' ' ALA . 7.8 m-20 -59.56 -40.37 87.13 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -62.51 -36.59 83.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.229 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 10' ' ' GLU . 3.9 t -47.7 -25.91 1.37 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.774 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.34 -20.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.071 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 8' ' ' SER . 0.6 OUTLIER -69.51 -43.55 72.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.405 179.683 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' SER . 3.4 pt -129.94 129.49 65.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.42 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.9 p -122.07 16.46 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.751 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -50.48 65.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.686 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -66.02 -37.17 85.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.254 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.67 -31.27 72.39 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.584 HD21 ' NZ ' ' A' ' 20' ' ' LYS . 6.3 tp -54.25 -28.73 43.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.439 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -52.22 -43.18 64.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.612 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -40.89 86.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.568 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 28.5 mttp -69.33 -33.08 72.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.377 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.584 ' NZ ' HD21 ' A' ' 16' ' ' LEU . 9.7 mmtp -73.95 -29.62 62.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.985 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -66.49 -45.29 80.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 3.7 m -60.34 -30.67 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.821 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 74.7 t -52.12 -33.88 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -49.85 -37.74 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.554 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 3.4 mt-10 -58.36 -13.76 6.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.532 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -60.74 -45.09 95.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.892 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.5 -37.78 82.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.824 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.698 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.552 ' O ' ' OG ' ' A' ' 1' ' ' SER . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.679 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 6.3 p 84.64 -75.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.639 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.679 ' N ' ' OG ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -48.86 -34.24 12.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.537 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.16 -21.94 25.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.537 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.7 -34.23 69.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.329 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.9 t -58.38 -38.18 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.39 -38.51 80.7 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.6 m -60.62 -37.11 80.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.144 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -57.23 -21.91 37.25 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.886 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -53.03 -25.5 12.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.334 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.96 -39.57 71.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.127 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.836 HG22 ' H ' ' A' ' 12' ' ' THR . 3.3 mm -111.04 -161.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.7 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.836 ' H ' HG22 ' A' ' 11' ' ' ILE . 68.5 p 46.12 21.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.383 . . . . 0.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -63.24 -43.82 96.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.303 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -37.56 76.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.099 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.29 -33.03 74.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.26 -28.27 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.954 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -47.88 -32.88 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.438 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 18' ' ' GLU . 1.1 mp0 -65.42 -39.77 92.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.318 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.699 ' O ' HG12 ' A' ' 22' ' ' VAL . 16.4 mttp -64.62 -46.57 82.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.473 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.553 ' O ' HG12 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -64.68 -39.26 93.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.941 179.696 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' O ' ' CD ' ' A' ' 24' ' ' GLU . 2.1 tp10 -56.64 -32.8 65.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.819 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -58.38 -20.75 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.146 179.67 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 20' ' ' LYS . 11.5 p -41.92 -22.18 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.241 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.556 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 1.3 mp0 -49.88 -36.24 26.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.772 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -53.09 -17.52 1.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . -61.55 -21.05 63.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.43 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -62.24 -16.34 52.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.387 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.726 -179.924 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.588 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 1.7 t 44.25 -99.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.611 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.588 ' N ' ' OG ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -47.74 -32.0 5.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.584 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.99 -24.42 58.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.182 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.677 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -58.94 -13.65 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.478 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 6' ' ' ASP . 2.6 p -41.11 -38.86 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.482 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 7.5 t0 -60.58 -39.47 88.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.677 ' N ' ' O ' ' A' ' 4' ' ' ALA . 28.0 m -62.27 -38.12 88.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.81 178.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -16.21 0.12 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.575 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 7' ' ' THR . 25.1 m -52.2 -18.13 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.301 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.69 ' O ' HG22 ' A' ' 11' ' ' ILE . 1.1 mm-40 -65.99 -24.75 66.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.161 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.69 HG22 ' O ' ' A' ' 10' ' ' GLU . 20.8 tt 48.08 -3.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.583 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.68 ' H ' ' C ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -65.76 -32.84 74.61 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.201 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.445 ' H ' HG23 ' A' ' 13' ' ' THR . 0.1 OUTLIER -66.82 -31.2 71.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.915 179.558 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -73.2 -41.47 63.76 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.02 -37.58 71.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.23 -30.14 59.42 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.458 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -40.15 73.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.268 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -57.32 -40.15 77.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.221 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.961 ' O ' HG22 ' A' ' 22' ' ' VAL . 10.8 tttt -72.86 -38.55 67.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.977 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -70.53 -29.49 65.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.55 -41.34 97.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.194 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.961 HG22 ' O ' ' A' ' 19' ' ' LYS . 7.0 m -59.34 -28.18 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.248 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 94.9 t -59.05 -37.19 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.111 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.563 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 2.7 mt-10 -56.89 -37.49 71.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.937 0.399 . . . . 0.0 110.141 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 25' ' ' GLU . 52.1 mt-10 -57.65 -14.51 5.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.661 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -58.33 -44.06 88.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.168 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.563 ' OE1' ' O ' ' A' ' 24' ' ' GLU . 2.6 mt-10 -68.52 5.65 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.86 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' ' 26' ' ' ALA . 6.5 m120 . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.583 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.704 ' O ' ' N ' ' A' ' 2' ' ' ASP . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 0' ' ' ACE . 0.3 OUTLIER 36.27 -82.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.237 0.336 . . . . 0.0 110.576 . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.704 ' N ' ' O ' ' A' ' 0' ' ' ACE . 0.3 OUTLIER -52.18 -36.77 52.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -50.3 -28.01 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.997 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 7' ' ' THR . . . -46.01 -22.33 0.2 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.188 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' A' ' 8' ' ' SER . 4.0 t -50.07 -37.84 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.57 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -38.9 82.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 4' ' ' ALA . 59.2 m -60.83 -34.76 75.06 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 1.6 m -42.95 -30.08 0.38 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.722 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 p -53.21 -46.67 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.999 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.589 ' O ' ' O ' ' A' ' 11' ' ' ILE . 2.3 mm-40 -61.94 -11.05 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.874 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.664 ' O ' ' CB ' ' A' ' 12' ' ' THR . 23.2 pt 38.43 -172.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.272 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.664 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 91.8 m 123.47 -4.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.188 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -49.02 12.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.089 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.99 -33.48 63.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.097 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -57.31 -36.9 71.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.197 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -30.94 47.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.433 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -70.6 -33.19 70.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.407 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.741 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.0 tp10 -60.72 -33.83 73.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.153 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 23' ' ' VAL . 16.0 mtmt -62.33 -41.82 98.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.056 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.544 ' H ' ' HD2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.25 -50.89 50.81 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.879 179.642 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.84 -36.12 82.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.687 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 18' ' ' GLU . 6.3 t -59.9 -34.21 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.019 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 19' ' ' LYS . 37.4 t -46.44 -28.58 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.599 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.41 -37.95 79.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.471 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -59.19 -14.33 10.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.043 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.64 ' C ' ' H ' ' A' ' 28' ' ' ASN . . . -61.22 -27.15 68.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.505 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -46.95 -7.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.33 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.64 ' H ' ' C ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.489 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 t -50.02 -61.49 2.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.971 0.415 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -37.16 78.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.651 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.436 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -54.37 -25.38 24.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -45.85 -20.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 3' ' ' ALA . 8.7 p -49.81 -37.55 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.979 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' A' ' 7' ' ' THR . 6.1 p30 -57.3 -39.65 76.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.643 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 57.1 m -61.92 -36.63 81.93 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.621 ' O ' HG22 ' A' ' 11' ' ' ILE . 4.3 t -50.52 -37.31 38.45 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.587 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.27 -21.57 1.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.445 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.99 -36.78 78.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.609 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 8' ' ' SER . 4.7 tt -83.84 22.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.505 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.435 ' O ' HG22 ' A' ' 12' ' ' THR . 58.7 m -95.06 -11.94 27.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.986 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.0 m -55.63 -49.18 73.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.973 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -73.55 -32.53 64.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -66.02 -27.42 68.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.98 -30.55 35.73 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -70.63 -40.07 73.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.843 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -68.72 -43.01 76.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.358 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.819 ' O ' HG22 ' A' ' 22' ' ' VAL . 6.6 tptp -60.46 -38.54 84.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.946 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.851 ' O ' HG22 ' A' ' 23' ' ' VAL . 6.9 ttpt -73.94 -30.01 62.33 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.91 -31.25 68.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.898 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 19' ' ' LYS . 3.4 m -52.52 -31.78 16.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.083 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.851 HG22 ' O ' ' A' ' 20' ' ' LYS . 3.9 m -59.03 -37.28 66.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.942 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -59.79 -37.0 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -16.72 4.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.529 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -51.23 -38.53 52.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.62 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -61.84 -32.39 72.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.479 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.63 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.3 t -109.3 -79.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.348 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 46.3 t0 -48.22 -37.38 15.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.16 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.333 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.646 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -53.01 -21.03 3.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.46 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 6' ' ' ASP . 13.9 p -43.79 -38.36 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.452 ' N ' HG13 ' A' ' 5' ' ' VAL . 55.9 m-20 -60.07 -38.4 82.75 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.646 ' N ' ' O ' ' A' ' 4' ' ' ALA . 0.2 OUTLIER -60.95 -37.59 82.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.25 178.347 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 t -44.54 -17.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.231 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 7' ' ' THR . 66.7 m -51.21 -41.11 60.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.205 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.22 -2.37 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.942 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 11' ' ' ILE . 3.3 mp 62.47 67.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -119.09 18.61 13.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.176 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -46.95 56.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.513 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.95 -38.87 89.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.024 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 24.8 m-20 -61.19 -35.33 76.86 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 16' ' ' LEU . 2.1 tt -54.53 -27.09 35.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.867 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.7 -34.45 12.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.916 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -71.51 -37.04 71.26 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.209 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.679 ' O ' HG22 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -73.98 -36.68 64.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.316 179.23 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -30.09 71.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.017 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.4 -46.22 89.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.013 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 19' ' ' LYS . 1.3 m -59.77 -34.4 55.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.945 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 92.0 t -59.67 -24.96 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 110.437 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' A' ' 26' ' ' ALA . 9.3 tt0 -51.53 -38.15 52.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.017 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.26 -14.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -66.8 -33.48 75.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.322 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.08 -14.38 54.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.244 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.649 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m -122.66 -87.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.677 ' O ' HG13 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -48.06 -37.32 14.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -59.31 -14.53 11.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.779 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.6 -19.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.58 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 2' ' ' ASP . 5.3 m -59.23 -39.63 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.463 ' N ' HG23 ' A' ' 5' ' ' VAL . 32.0 t0 -61.49 -39.96 92.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.9 m -62.34 -37.61 86.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.933 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 p -57.66 -18.29 19.65 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.699 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 p -57.61 -36.34 71.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.548 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.71 -26.96 67.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.285 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.755 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.4 tt -144.53 87.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.381 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -68.1 -19.29 64.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.384 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.408 ' OG1' HG13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -55.82 -36.19 67.2 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.972 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -37.84 62.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.328 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.37 -40.49 68.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tp -53.98 -29.82 44.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.894 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -36.04 78.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.579 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.56 -44.3 91.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.691 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.892 ' O ' HG22 ' A' ' 22' ' ' VAL . 7.5 mttp -69.93 -41.09 75.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.039 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.568 ' O ' HG12 ' A' ' 23' ' ' VAL . 13.0 mmtt -62.58 -29.95 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.792 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 24' ' ' GLU . 38.1 tt0 -55.13 -40.76 70.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.671 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.892 HG22 ' O ' ' A' ' 19' ' ' LYS . 4.7 m -49.04 -35.32 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.442 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -59.08 -24.11 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.901 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' N ' ' A' ' 26' ' ' ALA . 2.4 tp10 -49.22 -37.74 24.09 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.818 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -49.26 -19.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . -69.81 -36.38 75.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.551 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.63 -27.6 64.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.614 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.519 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 5.7 p-10 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.602 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.03 -14.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.679 0.276 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.71 -37.58 63.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.816 0.341 . . . . 0.0 110.636 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.5 -22.86 62.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.595 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -49.29 -27.27 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 6' ' ' ASP . 12.4 p -43.74 -37.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -59.89 -40.52 89.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.356 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 4' ' ' ALA . 43.4 p -63.3 -37.58 87.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.11 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.456 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 36.7 m -57.41 -15.22 6.1 Favored 'General case' 0 N--CA 1.46 0.042 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.74 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.9 p -57.68 -8.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.016 0.436 . . . . 0.0 110.085 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 11' ' ' ILE . 7.2 pt-20 -69.02 -41.81 77.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 8' ' ' SER . 4.8 pt -76.71 49.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.742 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.9 p -117.4 -27.05 6.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.457 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -35.58 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.391 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -73.99 -37.57 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.114 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -32.65 73.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.22 -29.25 45.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.362 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -62.75 -33.8 75.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.648 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -52.56 40.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -64.41 -36.21 83.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.368 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.724 ' O ' HG12 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -63.79 -35.22 79.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.23 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -56.19 -39.33 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.235 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 22' ' ' VAL . 3.0 t -59.13 -28.05 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.772 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.724 HG12 ' O ' ' A' ' 20' ' ' LYS . 3.3 p -50.53 -36.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.552 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.407 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 24.9 mt-10 -52.2 -37.96 56.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.955 0.407 . . . . 0.0 109.999 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.38 -14.21 4.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.068 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.32 -31.53 33.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.494 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.572 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -62.41 -5.5 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.572 ' OD1' ' O ' ' A' ' 27' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.67 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.94 -3.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.778 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.779 ' O ' HG22 ' A' ' 5' ' ' VAL . 2.8 m-20 -55.12 -38.03 67.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.72 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.76 -15.71 22.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.576 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -58.38 -21.08 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.513 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 2' ' ' ASP . 14.3 m -59.82 -39.15 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -41.33 97.2 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.576 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 80.9 p -63.1 -36.6 84.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.414 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.419 ' C ' ' N ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -45.47 -16.17 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.476 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -48.42 -17.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.558 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 11' ' ' ILE . 2.4 tt0 -69.49 -34.07 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.661 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER 31.38 -103.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.508 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.586 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.1 OUTLIER -150.95 44.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.715 -179.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.9 m -86.65 -50.59 6.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.7 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -74.17 -32.13 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.92 -33.75 74.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.175 0.512 . . . . 0.0 109.893 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tp -54.31 -29.04 46.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.859 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -59.87 -46.93 87.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.323 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.82 -38.52 91.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.861 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -37.93 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.031 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -62.89 -32.95 74.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.041 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -60.51 -34.72 74.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.113 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.419 ' C ' ' N ' ' A' ' 24' ' ' GLU . 66.6 t -57.55 -25.0 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.038 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 2.5 p -49.93 -16.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.241 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 22' ' ' VAL . 9.9 mt-10 -49.59 -37.41 27.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.002 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.74 -14.89 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.625 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -62.34 -29.91 70.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.391 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -68.37 -31.94 71.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.278 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 26' ' ' ALA . 51.0 m-80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.454 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -130.05 -56.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.016 0.436 . . . . 0.0 110.717 . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.713 ' O ' HG23 ' A' ' 5' ' ' VAL . 1.5 m-20 -50.42 -36.36 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.63 -34.75 62.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.003 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.56 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -59.77 -15.4 20.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.416 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 2' ' ' ASP . 71.5 t -57.01 -38.64 61.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.596 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.54 -41.3 94.19 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.446 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.56 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 41.9 p -63.73 -37.26 86.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.794 178.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.669 ' O ' HG22 ' A' ' 11' ' ' ILE . 1.3 p -48.37 -17.35 0.14 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.889 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 7' ' ' THR . 43.5 t -68.04 -33.71 75.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.611 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.6 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.6 mt-10 -69.16 -12.28 61.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.669 HG22 ' O ' ' A' ' 8' ' ' SER . 1.6 tt -66.63 24.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.027 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.6 ' H ' ' C ' ' A' ' 10' ' ' GLU . 15.2 p -135.35 -7.27 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.144 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 10' ' ' GLU . 2.4 t -50.72 -44.1 58.14 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.218 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' N ' HG23 ' A' ' 13' ' ' THR . 0.0 OUTLIER -74.15 -36.68 64.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.225 179.661 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -54.78 -40.45 69.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -55.01 -30.39 59.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.29 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -69.21 -54.84 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.022 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.68 -38.16 74.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.984 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.945 ' O ' HG22 ' A' ' 22' ' ' VAL . 1.9 tptp -73.34 -28.64 62.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.595 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -74.8 -31.42 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.264 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -63.71 -34.93 78.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.324 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.945 HG22 ' O ' ' A' ' 19' ' ' LYS . 2.5 m -59.54 -19.97 17.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.797 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 2.8 t -42.08 -32.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.903 0.382 . . . . 0.0 110.151 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.68 -37.34 75.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.859 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 22' ' ' VAL . 4.0 tt0 -56.38 -16.14 5.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.721 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -69.74 -47.63 62.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.816 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -79.48 -36.68 38.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.194 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.687 -179.694 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.408 ' O ' ' CB ' ' A' ' 1' ' ' SER . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 0' ' ' ACE . 1.0 OUTLIER 75.38 -3.19 2.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.774 0.321 . . . . 0.0 110.549 . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -48.88 -37.43 19.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.258 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.87 -26.26 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.837 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.6 77.16 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.732 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 t -61.7 -40.11 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.482 ' C ' ' OD1' ' A' ' 6' ' ' ASP . 4.4 t0 -60.89 -38.87 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.485 ' C ' ' N ' ' A' ' 9' ' ' SER . 22.1 m -61.08 -34.99 75.79 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.146 178.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' ILE . 4.5 m -47.16 -15.03 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.099 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.485 ' N ' ' C ' ' A' ' 7' ' ' THR . 83.7 p -48.91 -42.6 37.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.162 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.652 ' C ' HG23 ' A' ' 11' ' ' ILE . 1.3 mp0 -69.78 -0.25 6.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.334 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.652 HG23 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER 57.38 115.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.287 -179.327 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -149.04 41.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.089 -179.639 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.716 HG23 ' N ' ' A' ' 14' ' ' LYS . 14.8 t -50.25 -52.09 39.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.924 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.716 ' N ' HG23 ' A' ' 13' ' ' THR . 10.4 ttmt -73.42 -32.37 64.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.482 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -33.94 74.52 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -54.88 -29.3 55.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.636 178.855 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -53.83 -46.72 71.25 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.951 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.1 mt-10 -59.26 -46.12 89.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.839 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -71.54 -28.42 63.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' O ' HG12 ' A' ' 23' ' ' VAL . 11.9 ttpp -71.84 -34.19 69.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.385 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.24 -36.43 84.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.202 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.454 ' C ' ' N ' ' A' ' 24' ' ' GLU . 44.0 t -59.11 -25.8 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.544 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 20' ' ' LYS . 4.1 p -45.32 -18.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.462 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 22' ' ' VAL . 5.0 mm-40 -51.16 -37.36 45.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.168 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -56.39 -14.86 3.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.761 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 28' ' ' ASN . . . -56.92 -25.36 57.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.356 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.633 ' C ' ' ND2' ' A' ' 28' ' ' ASN . 9.0 mt-10 -76.85 -24.48 52.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.437 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.633 ' ND2' ' C ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.624 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p 57.4 8.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.511 ' O ' HG23 ' A' ' 5' ' ' VAL . 1.1 m-20 -52.6 -37.23 57.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.267 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.574 ' O ' ' OD2' ' A' ' 6' ' ' ASP . . . -59.61 -29.75 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.67 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.65 -26.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 2' ' ' ASP . 50.1 t -59.76 -38.5 76.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.728 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.686 ' OD1' ' N ' ' A' ' 7' ' ' THR . 2.8 p30 -60.06 -39.83 87.36 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.686 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 1.0 OUTLIER -61.69 -34.94 76.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.064 178.28 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.3 p -44.81 -16.72 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.318 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 7' ' ' THR . 8.8 m -48.34 -27.03 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.897 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 12' ' ' THR . 2.1 mt-10 -56.06 -25.27 44.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.266 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 10' ' ' GLU . 14.8 mt 66.05 -41.66 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.047 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 10' ' ' GLU . 3.8 t -73.1 6.39 2.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.982 0.42 . . . . 0.0 109.907 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.1 m -78.0 -40.98 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.889 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -75.1 -35.19 61.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.671 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -40.77 66.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -30.16 70.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.845 178.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -58.73 -36.31 74.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.098 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.567 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.8 mt-10 -57.98 -47.0 84.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.771 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -35.88 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.357 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -72.02 -29.9 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.038 179.594 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 3.3 tt0 -64.87 -41.04 95.98 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.649 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 18' ' ' GLU . 4.4 t -59.5 -36.05 62.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.028 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.589 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 62.1 t -56.37 -29.38 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.39 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.619 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 9.0 mp0 -49.91 -38.71 37.25 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.654 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.39 -22.26 19.11 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.696 -0.854 . . . . 0.0 108.696 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.609 ' C ' ' H ' ' A' ' 28' ' ' ASN . . . -70.21 -36.87 74.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.489 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -54.85 0.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.473 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.609 ' H ' ' C ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.494 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.3 m -94.53 -33.24 13.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.515 ' O ' HG13 ' A' ' 5' ' ' VAL . 38.0 t0 -59.08 -37.16 76.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.75 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 5' ' ' VAL . . . -59.49 -25.41 64.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.459 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -50.71 -14.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.95 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 2' ' ' ASP . 19.1 m -59.62 -39.31 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.409 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.581 ' O ' ' OG ' ' A' ' 9' ' ' SER . 2.9 m-20 -60.84 -41.11 95.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 21.6 p -63.48 -29.66 70.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.973 178.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -48.27 -37.05 15.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.295 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.581 ' OG ' ' O ' ' A' ' 6' ' ' ASP . 0.2 OUTLIER -50.0 -30.87 11.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.68 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.48 -24.64 66.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.21 86.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.642 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -168.67 35.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.473 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 p -78.69 -53.29 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.558 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -72.31 -32.16 66.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.13 -33.29 71.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.941 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.68 -28.93 36.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.677 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -35.94 78.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -67.55 -34.68 77.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.199 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.562 ' O ' HG22 ' A' ' 22' ' ' VAL . 2.0 tmmm? -73.08 -42.4 63.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.09 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.71 ' O ' HG12 ' A' ' 23' ' ' VAL . 1.2 mttm -59.39 -32.7 70.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.022 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.12 -45.79 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.771 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -59.61 -33.64 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.276 -179.666 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -58.56 -21.91 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.382 -179.193 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -49.03 -37.53 20.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.356 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.29 -14.85 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.084 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.82 -19.29 65.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.399 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.661 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -64.24 -3.09 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.329 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.626 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.9 p -159.1 -89.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.308 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -48.02 -32.48 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.017 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.38 -26.88 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.124 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.13 -26.54 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.371 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 t -59.45 -37.98 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.843 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -39.2 84.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -37.48 85.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.061 178.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 t -55.32 -23.25 22.57 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.133 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -49.86 -24.51 2.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.739 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.28 -42.17 75.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.926 HG23 ' H ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -177.25 -109.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.685 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.926 ' H ' HG23 ' A' ' 11' ' ' ILE . 15.5 p 55.12 43.49 29.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.505 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.04 -56.28 9.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.326 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -71.51 -31.3 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.156 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -34.62 75.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.798 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -53.72 -29.11 37.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.45 179.572 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -65.31 -45.21 85.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.428 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -55.85 -44.73 78.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.161 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.969 ' O ' HG22 ' A' ' 22' ' ' VAL . 10.1 mttt -71.56 -28.39 63.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.97 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -29.85 65.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.495 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.14 -33.85 76.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.563 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.969 HG22 ' O ' ' A' ' 19' ' ' LYS . 2.8 m -59.31 -26.98 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.624 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.0 t -53.22 -17.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.136 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 26' ' ' ALA . 1.3 mm-40 -50.55 -37.31 38.79 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.3 -18.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.653 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 24' ' ' GLU . . . -66.61 -27.42 67.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 28' ' ' ASN . 2.6 mt-10 -78.9 -1.48 35.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.606 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.526 ' C ' ' O ' ' A' ' 27' ' ' GLU . 16.0 p30 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.553 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.508 ' C ' ' H ' ' A' ' 2' ' ' ASP . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.9 t 70.6 -37.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 0' ' ' ACE . 4.0 t0 -50.19 -36.84 32.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.48 -19.22 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.979 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.522 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -50.52 -21.12 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.147 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 6' ' ' ASP . 8.5 p -58.91 -38.53 73.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.125 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.447 ' N ' HG13 ' A' ' 5' ' ' VAL . 3.5 t0 -59.91 -39.08 84.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -61.48 -36.62 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.64 178.53 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -41.87 -23.94 0.04 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.239 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 7' ' ' THR . 22.4 p -54.69 -34.34 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.321 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.734 ' O ' HG22 ' A' ' 11' ' ' ILE . 9.9 tt0 -59.54 -16.59 25.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.463 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.734 HG22 ' O ' ' A' ' 10' ' ' GLU . 3.0 tp 94.37 148.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.557 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -105.95 8.82 32.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.456 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.0 m -68.21 -57.02 6.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.331 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -67.01 -34.17 77.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.004 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.541 ' OD2' ' OE1' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -60.74 -34.18 74.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -29.08 42.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -55.37 -32.23 62.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.269 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.541 ' OE1' ' OD2' ' A' ' 15' ' ' ASP . 4.7 mt-10 -54.66 -38.43 66.9 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -66.76 -33.59 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.736 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.83 -36.74 73.05 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 38.3 mt-10 -54.99 -34.3 63.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.148 179.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -34.91 46.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.192 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 25.8 t -59.3 -20.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.451 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 26.7 mt-10 -55.25 -37.62 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.371 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.39 -14.62 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.812 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -57.35 -29.97 64.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.524 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.494 ' O ' ' OXT' ' A' ' 28' ' ' ASN . 0.7 OUTLIER -72.0 -30.89 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.421 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.494 ' OXT' ' O ' ' A' ' 27' ' ' GLU . 65.3 t30 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.531 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 t -159.94 -91.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.573 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -50.78 -34.43 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.513 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.4 -18.75 41.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -44.92 -29.1 0.75 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.004 0.431 . . . . 0.0 110.123 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.502 ' O ' ' OG ' ' A' ' 8' ' ' SER . 6.3 p -42.96 -32.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.733 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -39.61 80.14 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 4' ' ' ALA . 32.0 m -62.21 -36.93 83.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.234 177.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 16.9 p -58.09 -19.0 28.68 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 p -64.47 -30.33 71.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.037 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.673 ' O ' ' N ' ' A' ' 12' ' ' THR . 20.3 tt0 -68.94 -34.02 74.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.878 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.871 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -20.19 79.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.509 -179.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.673 ' N ' ' O ' ' A' ' 10' ' ' GLU . 1.7 t -160.62 -49.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.132 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.604 ' N ' ' CG2' ' A' ' 12' ' ' THR . 1.0 OUTLIER -74.67 -27.58 60.48 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.73 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.87 -42.42 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.673 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.43 -37.48 72.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -29.72 45.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.724 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -36.16 74.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.797 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -58.16 -41.59 84.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.511 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -67.43 -43.96 79.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.468 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -30.14 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.132 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.21 -35.21 73.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.428 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.17 -27.17 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.667 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.7 t -54.85 -33.3 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.526 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.52 -37.62 57.89 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.485 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 81.0 mt-10 -53.94 -17.14 2.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.653 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.99 -34.41 56.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.514 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -48.23 -20.52 0.39 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.486 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.485 ' OD1' ' O ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.668 179.992 . . . . . . . . 2 2 . 1 stop_ save_