data_1cmr_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 1cmr _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.399 0.618 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 p -105.55 -63.1 1.28 Allowed 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.576 1.95 . . . . 0.0 106.348 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.0 p -139.18 -150.71 0.34 Allowed 'General case' 0 C--N 1.359 0.983 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.4 p -62.61 -27.2 69.04 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 130.296 3.439 . . . . 0.0 115.277 172.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -80.25 -4.89 55.02 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.048 2.139 . . . . 0.0 115.748 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -103.61 1.28 31.87 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.436 1.894 . . . . 0.0 109.623 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -107.9 10.67 28.46 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 126.532 1.933 . . . . 0.0 109.458 174.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -96.17 -21.77 17.7 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 127.396 2.278 . . . . 0.0 109.76 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 t -131.65 68.61 1.49 Allowed 'General case' 0 C--N 1.356 0.886 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -142.88 -52.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -174.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.2 m -107.51 5.25 26.96 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.36 2.264 . . . . 0.0 109.592 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -93.65 -29.81 15.25 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 127.617 2.367 . . . . 0.0 108.448 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -97.42 -4.09 38.91 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 128.217 2.607 . . . . 0.0 111.789 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tt -115.36 -55.65 2.43 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.497 1.519 . . . . 0.0 107.426 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -106.88 -124.95 0.24 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.726 1.61 . . . . 0.0 108.25 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -154.17 37.96 0.44 Allowed 'General case' 0 C--N 1.365 1.27 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.8 p -112.18 -165.15 0.97 Allowed 'General case' 0 C--N 1.361 1.093 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -173.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -125.88 -105.36 0.34 Allowed 'General case' 0 C--N 1.354 0.8 0 C-N-CA 124.347 1.059 . . . . 0.0 108.938 -165.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.45 ' HG2' ' H ' ' A' ' 20' ' ' GLY . 52.6 tttt -85.12 -178.32 6.76 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.729 2.812 . . . . 0.0 112.525 -164.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.45 ' H ' ' HG2' ' A' ' 19' ' ' LYS . . . -178.27 178.27 48.55 Favored Glycine 0 CA--C 1.491 -1.464 0 N-CA-C 108.286 -1.926 . . . . 0.0 108.286 -175.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.6 p90 -150.23 160.73 43.47 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 104.639 -2.356 . . . . 0.0 104.639 169.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.9 t -106.71 121.85 45.18 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.826 0.851 . . . . 0.0 109.515 -174.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -105.91 177.98 4.7 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.103 2.161 . . . . 0.0 105.712 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -89.82 17.45 6.65 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 125.655 1.582 . . . . 0.0 113.345 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.31 -16.39 12.01 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.905 2.482 . . . . 0.0 109.957 174.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.48 -161.5 27.97 Favored Glycine 0 C--N 1.364 2.089 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.9 m -90.31 135.62 33.56 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.102 1.761 . . . . 0.0 110.423 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.4 mm -84.95 138.22 19.46 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 C-N-CA 128.618 2.767 . . . . 0.0 107.102 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.3 m -126.21 113.61 17.22 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -112.3 148.57 33.92 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.379 1.872 . . . . 0.0 107.503 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.26 1.63 0 C-N-CA 125.64 1.576 . . . . 0.0 110.72 -178.413 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.398 0.618 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 t -157.54 31.98 0.27 Allowed 'General case' 0 C--N 1.358 0.966 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.2 p -111.47 -116.97 0.31 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.299 1.839 . . . . 0.0 107.171 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.1 m -160.91 -48.77 0.05 OUTLIER 'General case' 0 C--N 1.356 0.861 0 N-CA-C 104.437 -2.431 . . . . 0.0 104.437 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -91.85 47.26 1.33 Allowed 'General case' 0 C--N 1.37 1.475 0 C-N-CA 127.701 2.4 . . . . 0.0 111.138 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -129.93 17.66 5.64 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 163.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -147.73 24.97 1.07 Allowed 'General case' 0 C--N 1.365 1.255 0 C-N-CA 126.532 1.933 . . . . 0.0 108.057 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -95.7 130.42 42.6 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 120.524 -1.36 . . . . 0.0 108.512 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m 70.0 51.66 0.41 Allowed 'General case' 0 C--N 1.368 1.398 0 C-N-CA 128.039 2.536 . . . . 0.0 112.177 -176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.02 -59.17 3.38 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 C-N-CA 126.256 1.822 . . . . 0.0 109.087 -170.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.7 m -110.35 -0.84 17.46 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 127.834 2.454 . . . . 0.0 109.127 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -90.16 -28.94 18.59 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 127.755 2.422 . . . . 0.0 109.429 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -89.04 -25.74 21.79 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 128.462 2.705 . . . . 0.0 111.652 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -110.27 -60.09 1.85 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 125.369 1.467 . . . . 0.0 111.089 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -101.16 -2.82 30.39 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.083 1.353 . . . . 0.0 113.681 -167.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 m120 79.14 31.1 0.3 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 127.743 2.417 . . . . 0.0 114.826 169.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.2 p -110.8 -160.91 0.73 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.107 1.763 . . . . 0.0 107.102 -172.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.5 m -108.85 -112.55 0.3 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.344 1.058 . . . . 0.0 110.846 -172.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -77.83 138.5 38.98 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 126.542 1.937 . . . . 0.0 114.889 -164.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.97 129.82 6.68 Favored Glycine 0 C--N 1.356 1.655 0 N-CA-C 106.411 -2.676 . . . . 0.0 106.411 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -135.86 166.66 22.79 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.1 m -100.28 142.68 31.42 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.817 1.647 . . . . 0.0 108.377 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -107.72 -83.69 0.54 Allowed 'General case' 0 C--N 1.359 1.019 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 169.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -149.19 -48.62 0.14 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.518 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 2.3 mpt_? -80.83 -36.96 30.86 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 128.636 2.774 . . . . 0.0 113.512 -169.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.57 -151.34 9.12 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.464 -2.254 . . . . 0.0 107.464 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.2 m -94.92 156.16 16.45 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.711 2.004 . . . . 0.0 110.493 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.4 mm -117.52 105.3 17.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.046 0 N-CA-C 104.605 -2.368 . . . . 0.0 104.605 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 62.1 m -104.17 100.72 10.46 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 125.633 1.573 . . . . 0.0 109.337 -170.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -115.98 153.75 31.06 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 125.528 1.531 . . . . 0.0 108.532 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 C--O 1.26 1.611 0 C-N-CA 126.241 1.816 . . . . 0.0 110.891 178.454 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.442 0.639 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 p -104.42 -51.93 3.01 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.935 2.094 . . . . 0.0 109.103 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.9 p -128.11 178.19 6.39 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.862 1.665 . . . . 0.0 107.368 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.1 t -70.07 -33.29 71.73 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.781 3.232 . . . . 0.0 111.477 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.29 17.72 7.98 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.951 2.501 . . . . 0.0 112.52 -177.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -97.95 -25.66 14.91 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.712 2.405 . . . . 0.0 107.427 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -100.58 9.78 42.05 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 127.224 2.21 . . . . 0.0 111.66 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -93.0 -17.63 23.68 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.462 1.905 . . . . 0.0 110.832 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 p -136.47 61.23 1.64 Allowed 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.443 1.497 . . . . 0.0 107.191 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.43 HG11 ' HG ' ' A' ' 18' ' ' SER . 5.9 p -128.47 -48.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.254 0 C-N-CA 124.48 1.112 . . . . 0.0 109.082 -174.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -106.82 3.46 26.45 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 126.16 1.784 . . . . 0.0 110.772 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.11 8.38 15.65 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.048 1.339 . . . . 0.0 109.409 171.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -100.69 -30.96 11.45 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 128.525 2.73 . . . . 0.0 108.12 168.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp -101.76 -59.57 1.68 Allowed 'General case' 0 C--N 1.367 1.33 0 C-N-CA 127.041 2.136 . . . . 0.0 109.466 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -98.55 -91.36 0.27 Allowed 'General case' 0 C--N 1.367 1.338 0 C-N-CA 124.976 1.31 . . . . 0.0 111.914 -168.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -149.48 -59.59 0.21 Allowed 'General case' 0 C--N 1.365 1.268 0 CA-C-N 118.923 0.783 . . . . 0.0 112.16 -173.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.5 p -133.16 138.64 46.68 Favored 'General case' 0 C--N 1.366 1.293 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -171.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.43 ' HG ' HG11 ' A' ' 10' ' ' VAL . 2.4 t -150.09 121.18 7.73 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.973 1.309 . . . . 0.0 109.8 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.64 84.17 2.07 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 103.508 -2.775 . . . . 0.0 103.508 165.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.51 -177.11 26.13 Favored Glycine 0 C--N 1.357 1.716 0 C-N-CA 125.289 1.423 . . . . 0.0 113.558 -168.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 36.6 p90 -150.38 168.76 23.18 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 169.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -111.11 121.5 45.49 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 126.562 1.945 . . . . 0.0 106.129 -175.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.94 -90.0 0.34 Allowed 'General case' 0 C--N 1.365 1.243 0 C-N-CA 125.031 1.332 . . . . 0.0 109.446 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -142.8 -47.99 0.33 Allowed 'General case' 0 C--N 1.358 0.963 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -170.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -86.24 -31.02 21.9 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.229 2.212 . . . . 0.0 112.405 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.01 -154.39 23.27 Favored Glycine 0 CA--C 1.487 -1.681 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.5 m -85.66 157.99 20.19 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 126.756 2.022 . . . . 0.0 111.411 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.4 mm -114.85 141.6 30.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.6 m -127.78 114.51 17.35 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 -178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -116.74 -165.79 1.1 Allowed 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.814 1.646 . . . . 0.0 106.911 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.261 1.665 0 C-N-CA 124.857 1.263 . . . . 0.0 108.951 176.037 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.63 0.728 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 p -114.66 -54.37 2.58 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.55 1.94 . . . . 0.0 105.794 165.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -139.19 -164.32 1.64 Allowed 'General case' 0 C--N 1.362 1.113 0 N-CA-C 106.182 -1.785 . . . . 0.0 106.182 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.0 p -64.6 -28.37 69.58 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 130.883 3.673 . . . . 0.0 114.214 169.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -86.35 2.21 48.29 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 128.056 2.543 . . . . 0.0 113.488 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -104.77 -6.76 20.02 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 126.903 2.081 . . . . 0.0 109.127 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 70.4 m -102.25 10.95 38.89 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 126.54 1.936 . . . . 0.0 110.126 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -96.4 -22.05 17.39 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.454 2.301 . . . . 0.0 109.187 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 p -128.66 65.76 1.42 Allowed 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.498 1.919 . . . . 0.0 106.364 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 p -140.62 -53.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.248 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m -106.03 6.13 30.92 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.245 2.218 . . . . 0.0 109.779 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -95.8 -32.44 12.69 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 127.095 2.158 . . . . 0.0 108.399 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -90.85 -12.0 37.59 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 128.181 2.592 . . . . 0.0 112.16 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 98.6 mt -110.97 -54.17 2.63 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 125.547 1.539 . . . . 0.0 108.981 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -105.44 -118.61 0.23 Allowed 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.008 1.323 . . . . 0.0 109.465 -173.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -163.98 42.45 0.1 Allowed 'General case' 0 C--N 1.363 1.177 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -169.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.9 p -121.44 -171.15 2.16 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.6 m -118.39 -105.83 0.39 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 124.878 1.271 . . . . 0.0 109.744 -168.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 mmtm -83.09 -174.94 5.58 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.588 2.755 . . . . 0.0 113.587 -166.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 177.68 177.13 46.26 Favored Glycine 0 CA--C 1.49 -1.51 0 N-CA-C 107.846 -2.102 . . . . 0.0 107.846 -173.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 31.5 p90 -148.77 164.21 35.07 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 168.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.2 t -110.43 122.52 47.92 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.371 0.668 . . . . 0.0 109.319 -174.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -106.0 -179.7 4.02 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.248 2.219 . . . . 0.0 105.697 169.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -86.76 14.63 6.8 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 126.112 1.765 . . . . 0.0 113.735 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -100.27 -46.76 5.17 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 128.499 2.72 . . . . 0.0 108.673 175.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.4 -152.1 20.38 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 105.821 -2.912 . . . . 0.0 105.821 -175.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.2 m -89.52 141.89 28.17 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.837 1.655 . . . . 0.0 110.905 174.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -89.27 138.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.152 0 C-N-CA 128.616 2.766 . . . . 0.0 106.345 165.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.8 m -125.2 115.91 21.17 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -113.84 148.92 35.81 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.446 1.898 . . . . 0.0 107.255 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.26 1.611 0 C-N-CA 125.649 1.58 . . . . 0.0 110.687 -179.022 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.74 0.781 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -144.83 -30.08 0.45 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.8 p -124.3 166.12 16.47 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 126.078 1.751 . . . . 0.0 107.001 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.6 m -72.39 -27.62 62.48 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 128.951 2.9 . . . . 0.0 112.8 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -88.17 10.6 18.84 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 128.304 2.642 . . . . 0.0 113.111 -176.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -98.37 -23.3 15.66 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 127.717 2.407 . . . . 0.0 107.834 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.3 m -99.27 10.79 40.73 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.245 2.218 . . . . 0.0 111.536 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -93.31 -18.5 22.38 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.68 1.992 . . . . 0.0 110.541 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -133.27 74.43 1.56 Allowed 'General case' 0 C--N 1.357 0.9 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 175.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.7 p -139.06 -50.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.399 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.8 m -104.3 4.71 33.95 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 126.321 1.848 . . . . 0.0 110.912 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.13 6.44 15.12 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.089 1.356 . . . . 0.0 109.422 170.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -100.83 -28.55 12.73 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.072 2.549 . . . . 0.0 107.758 168.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mp -99.54 -62.37 1.25 Allowed 'General case' 0 C--N 1.368 1.381 0 C-N-CA 127.214 2.205 . . . . 0.0 109.554 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -97.69 -91.7 0.25 Allowed 'General case' 0 C--N 1.366 1.305 0 C-N-CA 125.063 1.345 . . . . 0.0 112.058 -167.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -148.27 -60.2 0.25 Allowed 'General case' 0 C--N 1.365 1.279 0 CA-C-N 119.085 0.857 . . . . 0.0 112.19 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -135.12 136.18 41.73 Favored 'General case' 0 C--N 1.365 1.256 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -146.21 126.22 13.69 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 125.254 1.422 . . . . 0.0 109.588 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -139.32 91.03 2.47 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 164.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.09 -175.14 22.77 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 124.992 1.282 . . . . 0.0 113.029 -169.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -150.51 167.29 27.63 Favored 'General case' 0 N--CA 1.433 -1.294 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 169.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.4 t -109.35 121.85 46.09 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 126.065 1.746 . . . . 0.0 106.387 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -99.52 -87.52 0.36 Allowed 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.021 1.328 . . . . 0.0 109.684 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -141.88 -49.36 0.38 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -91.62 -27.65 18.0 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.243 2.217 . . . . 0.0 112.155 -170.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.57 -154.53 23.17 Favored Glycine 0 C--N 1.357 1.705 0 N-CA-C 107.569 -2.212 . . . . 0.0 107.569 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.8 m -87.05 158.69 19.16 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 126.94 2.096 . . . . 0.0 111.365 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 mm -114.92 144.21 22.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 N-CA-C 102.785 -3.043 . . . . 0.0 102.785 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 96.2 m -129.66 116.87 19.47 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -114.04 150.75 33.5 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 125.427 1.491 . . . . 0.0 107.635 176.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.26 1.616 0 C-N-CA 124.91 1.284 . . . . 0.0 109.18 179.848 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 121.2 0.524 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.4 p -114.91 -38.95 3.78 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.252 1.821 . . . . 0.0 110.08 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.41 ' HG1' ' H ' ' A' ' 4' ' ' SER . 16.7 p -123.07 -78.36 0.6 Allowed 'General case' 0 C--N 1.364 1.223 0 C-N-CA 124.419 1.088 . . . . 0.0 110.592 -168.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.41 ' H ' ' HG1' ' A' ' 3' ' ' THR . 23.3 t -177.38 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.357 0.908 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 -162.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -73.77 -11.68 60.46 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 128.892 2.877 . . . . 0.0 114.998 -172.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -94.88 0.08 54.47 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 126.902 2.081 . . . . 0.0 110.182 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.9 m -114.46 15.92 17.8 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.193 2.197 . . . . 0.0 108.56 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -107.24 134.24 50.62 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 169.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m 73.76 46.19 0.21 Allowed 'General case' 0 C--N 1.363 1.193 0 C-N-CA 126.779 2.032 . . . . 0.0 111.933 -176.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.5 -49.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.363 1.19 0 C-N-CA 126.122 1.769 . . . . 0.0 108.273 -171.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.1 m -116.12 2.75 13.43 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 128.134 2.574 . . . . 0.0 108.784 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.514 ' HG3' ' H ' ' A' ' 18' ' ' SER . 6.0 tt0 -103.51 -36.04 8.11 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.579 2.352 . . . . 0.0 107.987 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -80.69 -20.29 43.24 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 129.019 2.927 . . . . 0.0 112.526 170.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.4 tp -94.82 -51.04 4.87 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 126.212 1.805 . . . . 0.0 110.492 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -100.1 -90.55 0.31 Allowed 'General case' 0 C--N 1.367 1.347 0 C-N-CA 125.325 1.45 . . . . 0.0 108.83 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.53 -53.22 0.04 OUTLIER 'General case' 0 C--N 1.363 1.174 0 CA-C-N 119.053 0.842 . . . . 0.0 112.258 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 p -121.68 127.54 50.88 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.514 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.252 5.6 t -164.33 136.55 4.75 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 124.965 1.306 . . . . 0.0 112.577 174.158 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -118.39 159.31 23.67 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 103.951 -2.611 . . . . 0.0 103.951 160.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.97 167.11 33.2 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 -173.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -140.58 172.66 12.4 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 169.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.6 t -110.38 127.75 55.23 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.853 1.661 . . . . 0.0 107.639 -173.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -101.89 -9.93 20.29 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.196 1.798 . . . . 0.0 109.816 173.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.287 72.8 m80 79.97 8.44 1.54 Allowed 'General case' 0 C--N 1.367 1.36 0 C-N-CA 129.519 3.127 . . . . 0.0 114.112 175.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -104.87 -23.09 13.06 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 128.529 2.732 . . . . 0.0 107.856 171.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.23 -160.92 31.71 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 104.827 -3.309 . . . . 0.0 104.827 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.9 m -104.52 162.91 12.85 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.9 1.68 . . . . 0.0 108.854 175.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.1 mm -114.88 138.78 43.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.0 m -124.83 121.11 33.64 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 124.807 1.243 . . . . 0.0 108.469 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -102.66 -176.51 3.12 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 127.763 2.425 . . . . 0.0 107.528 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--O 1.26 1.625 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 173.08 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.699 0.762 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -145.36 -29.64 0.43 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 p -127.4 167.14 16.63 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 125.61 1.564 . . . . 0.0 107.452 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 t -70.63 -31.5 68.47 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 129.869 3.268 . . . . 0.0 112.372 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -91.55 12.39 21.04 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 127.289 2.235 . . . . 0.0 112.896 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -111.61 8.44 20.88 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.302 2.241 . . . . 0.0 107.59 170.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.8 m -124.22 18.15 9.1 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 127.157 2.183 . . . . 0.0 107.78 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.7 m0 -106.28 131.8 53.08 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 169.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.361 46.3 p 73.28 44.88 0.3 Allowed 'General case' 0 C--N 1.362 1.139 0 C-N-CA 128.473 2.709 . . . . 0.0 112.527 -174.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.69 -48.42 4.96 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 126.279 1.832 . . . . 0.0 108.397 -171.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.3 m -116.96 0.28 12.39 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.339 2.256 . . . . 0.0 108.683 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -97.55 -21.38 17.12 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.502 1.921 . . . . 0.0 108.329 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -80.88 -39.21 26.74 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 129.083 2.953 . . . . 0.0 111.454 172.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.6 mt -97.85 -48.14 5.3 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.662 1.585 . . . . 0.0 111.408 -172.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -108.06 -112.23 0.3 Allowed 'General case' 0 C--N 1.364 1.218 0 C-N-CA 125.177 1.391 . . . . 0.0 109.722 -175.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -167.12 48.67 0.06 Allowed 'General case' 0 C--N 1.365 1.243 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -166.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 p -111.12 -152.44 0.5 Allowed 'General case' 0 C--N 1.361 1.089 0 O-C-N 120.912 -1.118 . . . . 0.0 109.944 -169.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.4 t -147.04 -91.44 0.09 Allowed 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -88.58 148.06 24.28 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 127.895 2.478 . . . . 0.0 112.137 -167.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.42 156.07 26.49 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.733 -2.147 . . . . 0.0 107.733 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -144.14 172.47 12.85 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 172.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -110.97 126.62 54.96 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 126.117 1.767 . . . . 0.0 106.969 -174.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -101.28 -89.18 0.36 Allowed 'General case' 0 C--N 1.364 1.239 0 C-N-CA 125.745 1.618 . . . . 0.0 108.602 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -153.75 -48.14 0.09 Allowed 'General case' 0 C--N 1.357 0.912 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 -171.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -78.52 -23.71 46.14 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 128.57 2.748 . . . . 0.0 114.137 -175.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.5 -153.53 24.44 Favored Glycine 0 C--N 1.357 1.734 0 N-CA-C 106.622 -2.591 . . . . 0.0 106.622 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.3 m -91.39 160.07 15.66 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 126.65 1.98 . . . . 0.0 110.802 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -115.1 139.98 38.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 C-N-CA 128.557 2.743 . . . . 0.0 103.845 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.5 m -130.49 117.4 19.56 Favored 'General case' 0 C--N 1.361 1.074 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -107.22 21.52 17.39 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 125.906 1.683 . . . . 0.0 113.895 -167.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.6 m . . . . . 0 C--O 1.26 1.628 0 C-N-CA 127.337 2.255 . . . . 0.0 114.616 172.596 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 121.633 0.73 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -142.49 -39.87 0.35 Allowed 'General case' 0 C--N 1.356 0.891 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 162.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -140.68 -168.35 2.56 Favored 'General case' 0 C--N 1.363 1.186 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.6 t -58.6 -35.25 72.15 Favored 'General case' 0 C--N 1.365 1.257 1 C-N-CA 132.081 4.152 . . . . 0.0 115.56 178.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -89.75 14.26 12.28 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 126.664 1.985 . . . . 0.0 114.986 -168.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -109.43 5.54 23.47 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.175 2.19 . . . . 0.0 107.687 173.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.7 m -120.15 9.37 11.11 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.376 1.871 . . . . 0.0 109.031 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -91.71 -25.72 18.96 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.435 1.894 . . . . 0.0 111.075 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 t -131.74 60.27 1.68 Allowed 'General case' 0 C--N 1.359 1.021 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.9 p -124.98 -46.32 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.239 0 C-N-CA 125.022 1.329 . . . . 0.0 109.184 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.1 m -115.61 -0.81 12.89 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.41 2.284 . . . . 0.0 109.09 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.628 ' HG3' ' H ' ' A' ' 18' ' ' SER . 4.5 tt0 -97.88 -31.28 12.28 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 128.166 2.586 . . . . 0.0 108.594 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 tmt_? -78.32 -28.62 47.39 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 129.327 3.051 . . . . 0.0 112.312 170.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.67 -49.3 6.36 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.56 1.944 . . . . 0.0 111.106 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -99.13 -93.34 0.26 Allowed 'General case' 0 C--N 1.365 1.241 0 C-N-CA 125.153 1.381 . . . . 0.0 108.845 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -159.94 -57.42 0.06 Allowed 'General case' 0 C--N 1.365 1.25 0 CA-C-N 119.863 1.21 . . . . 0.0 111.113 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.2 p -123.04 122.0 37.43 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.628 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.27 69.0 m -153.78 144.45 22.53 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 125.951 1.701 . . . . 0.0 111.926 173.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -135.57 134.13 39.06 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 102.761 -3.051 . . . . 0.0 102.761 173.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.72 -179.44 16.98 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-O 122.026 0.792 . . . . 0.0 111.183 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.7 p90 -150.09 167.1 27.76 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 104.325 -2.472 . . . . 0.0 104.325 168.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.4 t -116.29 124.4 50.06 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 106.887 -1.524 . . . . 0.0 106.887 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -98.73 -88.34 0.33 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.787 1.635 . . . . 0.0 109.726 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -140.33 -48.31 0.44 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -170.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -87.53 -29.74 21.1 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 127.196 2.199 . . . . 0.0 112.623 -171.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.98 -153.89 23.46 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 107.353 -2.299 . . . . 0.0 107.353 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.2 m -85.86 153.51 22.18 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 126.796 2.038 . . . . 0.0 111.85 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -113.21 136.11 50.6 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 N-CA-C 103.016 -2.957 . . . . 0.0 103.016 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.7 m -124.24 116.43 22.67 Favored 'General case' 0 C--N 1.359 1.006 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -111.28 -154.35 0.54 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.217 1.807 . . . . 0.0 107.081 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--O 1.261 1.691 0 C-N-CA 125.414 1.485 . . . . 0.0 108.245 172.654 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.407 0.623 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -141.35 -33.2 0.52 Allowed 'General case' 0 C--N 1.359 1.013 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 p -133.62 173.61 11.32 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.1 p -73.75 -24.75 59.92 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.269 2.628 . . . . 0.0 112.54 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -84.72 -9.26 58.39 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 128.651 2.78 . . . . 0.0 112.067 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -91.76 -7.16 50.44 Favored 'General case' 0 C--N 1.368 1.376 0 C-N-CA 127.525 2.33 . . . . 0.0 110.036 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.1 m -113.16 25.44 11.36 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 127.009 2.124 . . . . 0.0 109.575 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -108.77 130.69 55.38 Favored 'General case' 0 C--N 1.361 1.073 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 170.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.402 ' H ' HE21 ' A' ' 12' ' ' GLN . 5.5 t 80.8 49.58 0.02 OUTLIER 'General case' 0 C--N 1.366 1.295 0 C-N-CA 128.753 2.821 . . . . 0.0 109.569 -172.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.08 -59.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.364 1.223 0 C-N-CA 125.86 1.664 . . . . 0.0 108.713 -171.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.0 m -117.93 7.93 12.45 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 127.313 2.245 . . . . 0.0 108.833 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.402 HE21 ' H ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -110.04 10.45 24.11 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 126.567 1.947 . . . . 0.0 107.76 165.345 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -106.6 -10.86 16.04 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 127.385 2.274 . . . . 0.0 108.604 164.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.1 mt -107.78 -48.51 3.39 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.486 1.914 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -100.99 -95.3 0.27 Allowed 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.537 1.535 . . . . 0.0 109.448 -174.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -160.65 -60.67 0.06 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.2 p -127.04 130.0 49.13 Favored 'General case' 0 C--N 1.361 1.072 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.269 3.9 t -153.57 147.2 25.13 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 124.502 1.121 . . . . 0.0 108.895 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -118.68 126.09 51.13 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 170.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.46 146.98 17.25 Favored Glycine 0 C--N 1.357 1.739 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 45.8 p90 -138.48 166.23 24.81 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -109.73 125.31 52.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.855 1.662 . . . . 0.0 108.248 -172.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -103.03 -7.8 21.1 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.528 1.931 . . . . 0.0 109.675 173.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.289 72.5 m80 80.86 15.64 0.62 Allowed 'General case' 0 C--N 1.367 1.349 0 C-N-CA 129.889 3.276 . . . . 0.0 113.521 176.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -113.31 -10.5 13.3 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.942 2.497 . . . . 0.0 108.416 169.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.36 -165.75 31.45 Favored Glycine 0 C--N 1.359 1.832 0 N-CA-C 105.674 -2.971 . . . . 0.0 105.674 -176.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 79.5 m -104.79 154.28 20.22 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 126.036 1.734 . . . . 0.0 107.845 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.3 mm -113.32 110.39 32.02 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 C-N-CA 126.35 1.86 . . . . 0.0 106.322 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.4 m -105.2 109.49 21.49 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 124.974 1.309 . . . . 0.0 108.87 -176.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -116.93 18.1 14.81 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 124.792 1.237 . . . . 0.0 111.339 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.258 1.545 0 C-N-CA 127.747 2.419 . . . . 0.0 113.072 175.237 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.532 0.682 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -151.82 -10.37 0.2 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 124.528 1.131 . . . . 0.0 108.116 174.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 p -112.22 -98.19 0.42 Allowed 'General case' 0 C--N 1.366 1.295 0 C-N-CA 125.413 1.485 . . . . 0.0 110.055 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 t -179.4 -44.31 0.01 OUTLIER 'General case' 0 C--N 1.357 0.898 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 -168.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -73.18 -12.15 60.78 Favored 'General case' 0 C--N 1.371 1.518 0 C-N-CA 129.711 3.204 . . . . 0.0 114.597 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -94.88 14.72 20.63 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 126.992 2.117 . . . . 0.0 111.132 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.1 m -129.02 10.51 5.9 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.092 1.757 . . . . 0.0 108.916 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -91.86 -26.16 18.62 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 125.513 1.525 . . . . 0.0 111.866 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 p -126.35 44.84 2.78 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.57 1.548 . . . . 0.0 107.928 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.78 -40.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 126.799 2.04 . . . . 0.0 108.511 -176.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.8 m -102.22 1.01 35.42 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.391 1.876 . . . . 0.0 111.491 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -95.83 -13.74 23.79 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 125.932 1.693 . . . . 0.0 109.293 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -98.04 -31.95 11.88 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 128.969 2.907 . . . . 0.0 109.876 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -117.44 -57.54 2.13 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 125.128 1.371 . . . . 0.0 110.792 -170.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -102.01 -5.35 24.71 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -159.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.4 t30 78.82 21.84 0.69 Allowed 'General case' 0 C--N 1.369 1.452 0 C-N-CA 127.639 2.376 . . . . 0.0 114.072 170.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 p -116.81 -157.32 0.65 Allowed 'General case' 0 C--N 1.357 0.917 0 C-N-CA 128.038 2.535 . . . . 0.0 105.458 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.3 m -115.36 -110.12 0.36 Allowed 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.707 1.203 . . . . 0.0 110.752 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -77.88 -169.81 1.67 Allowed 'General case' 0 C--N 1.359 1.017 0 C-N-CA 128.512 2.725 . . . . 0.0 115.129 -165.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.85 -177.79 43.31 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 26.8 p90 -150.92 173.85 13.8 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 165.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.8 t -109.6 129.83 55.55 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.261 1.425 . . . . 0.0 107.287 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -99.94 -89.57 0.33 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.635 1.574 . . . . 0.0 108.562 177.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -151.96 -45.94 0.11 Allowed 'General case' 0 C--N 1.358 0.944 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 2.2 mpt_? -74.22 -34.49 63.7 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 128.623 2.769 . . . . 0.0 113.536 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.95 -150.7 15.26 Favored Glycine 0 CA--C 1.487 -1.658 0 N-CA-C 106.404 -2.678 . . . . 0.0 106.404 -176.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.3 m -89.36 159.41 17.36 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.756 2.022 . . . . 0.0 111.286 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.9 mm -113.16 145.76 18.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 C-N-CA 128.964 2.906 . . . . 0.0 103.656 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.4 m -113.58 124.19 51.76 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 125.257 1.423 . . . . 0.0 107.193 175.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -119.04 151.99 37.25 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 169.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.26 1.644 0 C-N-CA 125.373 1.469 . . . . 0.0 108.438 178.514 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.662 0.744 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -143.5 -34.2 0.41 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 106.282 -1.748 . . . . 0.0 106.282 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.5 p -131.14 174.51 9.96 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 125.93 1.692 . . . . 0.0 106.564 -178.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -71.35 -25.51 62.42 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 129.524 3.13 . . . . 0.0 113.069 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -86.18 2.89 45.2 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.746 2.418 . . . . 0.0 113.407 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -104.05 3.47 33.32 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.151 2.18 . . . . 0.0 109.023 172.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.6 m -124.97 20.07 8.36 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 126.819 2.048 . . . . 0.0 108.252 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -109.99 129.36 55.68 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 105.615 -1.994 . . . . 0.0 105.615 169.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t 78.59 49.98 0.03 OUTLIER 'General case' 0 C--N 1.365 1.28 0 C-N-CA 127.956 2.502 . . . . 0.0 110.995 -173.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -122.66 -55.56 2.83 Favored 'Isoleucine or valine' 0 C--N 1.364 1.226 0 C-N-CA 125.631 1.572 . . . . 0.0 107.711 -173.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.2 m -115.56 -0.01 13.18 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 127.976 2.51 . . . . 0.0 108.209 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.464 ' HG3' ' H ' ' A' ' 18' ' ' SER . 43.5 tt0 -98.47 -19.21 17.8 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.801 2.44 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -80.14 -39.15 30.01 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 129.878 3.271 . . . . 0.0 112.239 167.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.5 mt -95.15 -53.92 3.62 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 125.748 1.619 . . . . 0.0 112.175 -170.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -99.62 -3.12 33.88 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 125.668 1.587 . . . . 0.0 111.298 -174.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.319 71.9 m-20 91.31 -28.43 0.04 OUTLIER 'General case' 0 C--N 1.365 1.272 0 C-N-CA 128.692 2.797 . . . . 0.0 115.055 163.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.7 p -131.12 128.04 39.32 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 174.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.464 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.276 6.2 t -163.33 141.55 7.94 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 125.004 1.322 . . . . 0.0 111.394 172.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -117.19 123.12 45.89 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 163.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.36 154.77 20.5 Favored Glycine 0 CA--C 1.488 -1.611 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.6 p90 -142.68 169.54 17.38 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 t -108.43 125.04 51.32 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.016 1.726 . . . . 0.0 107.354 -173.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -98.85 -88.63 0.32 Allowed 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.603 1.561 . . . . 0.0 108.992 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -146.79 -50.1 0.2 Allowed 'General case' 0 C--N 1.359 0.98 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -172.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -87.02 -27.11 23.4 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.358 2.263 . . . . 0.0 112.72 -172.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.1 -154.19 21.06 Favored Glycine 0 C--N 1.356 1.68 0 N-CA-C 107.438 -2.265 . . . . 0.0 107.438 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 99.7 m -91.01 160.58 15.54 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 126.701 2.0 . . . . 0.0 111.171 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.1 mm -113.12 142.05 26.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 103.299 -2.852 . . . . 0.0 103.299 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -128.8 119.45 24.54 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -118.05 -154.65 0.57 Allowed 'General case' 0 C--N 1.362 1.135 0 C-N-CA 126.478 1.911 . . . . 0.0 106.815 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 C--O 1.26 1.624 0 C-N-CA 125.799 1.639 . . . . 0.0 107.811 171.138 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 121.662 0.744 . . . . 0.0 111.826 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -144.36 -31.5 0.44 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.9 p -126.66 167.25 15.95 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 125.957 1.703 . . . . 0.0 106.946 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -71.86 -27.41 62.85 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 128.887 2.875 . . . . 0.0 112.828 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -87.01 5.45 37.36 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 128.062 2.545 . . . . 0.0 113.104 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -99.51 -14.11 19.2 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 127.624 2.37 . . . . 0.0 108.882 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -104.18 13.21 32.76 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.57 1.948 . . . . 0.0 110.838 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -96.06 -23.21 16.9 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.576 1.951 . . . . 0.0 109.862 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 p -129.0 60.94 1.53 Allowed 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.907 1.683 . . . . 0.0 106.674 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -132.51 -50.61 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.269 0 C-N-CA 124.707 1.203 . . . . 0.0 108.069 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.2 m -108.88 1.2 20.67 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.454 2.302 . . . . 0.0 109.773 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -94.33 -29.39 15.06 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.772 2.029 . . . . 0.0 108.474 170.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -82.76 -28.97 30.01 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 129.697 3.199 . . . . 0.0 111.812 176.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.7 tp -101.69 -53.55 2.94 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 125.897 1.679 . . . . 0.0 110.562 -175.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -105.76 -114.6 0.25 Allowed 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.074 1.35 . . . . 0.0 109.756 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -165.88 43.43 0.07 Allowed 'General case' 0 C--N 1.365 1.239 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -168.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.6 p -120.46 -163.63 1.03 Allowed 'General case' 0 C--N 1.36 1.041 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -174.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.7 m -122.28 -107.35 0.35 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.545 1.138 . . . . 0.0 109.533 -170.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mmtp -85.13 -174.7 5.39 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.479 2.712 . . . . 0.0 113.385 -166.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.04 176.18 46.64 Favored Glycine 0 CA--C 1.49 -1.499 0 N-CA-C 108.081 -2.008 . . . . 0.0 108.081 -175.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -146.65 166.27 27.06 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 170.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -104.82 117.2 33.46 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.377 1.471 . . . . 0.0 108.868 -173.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -107.09 179.17 4.34 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 126.948 2.099 . . . . 0.0 105.999 171.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -91.75 21.23 4.92 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.91 1.684 . . . . 0.0 113.173 -176.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -109.46 -27.66 9.33 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 128.374 2.67 . . . . 0.0 109.067 172.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.52 -151.71 23.88 Favored Glycine 0 C--N 1.36 1.875 0 N-CA-C 105.65 -2.98 . . . . 0.0 105.65 -172.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.5 m -87.89 144.93 26.3 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.613 1.565 . . . . 0.0 111.056 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 mm -93.55 138.44 20.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 128.801 2.84 . . . . 0.0 105.497 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.8 m -126.07 114.05 17.89 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 -176.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -112.68 148.01 35.58 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.194 1.798 . . . . 0.0 107.424 176.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.259 1.59 0 C-N-CA 125.661 1.585 . . . . 0.0 108.591 179.446 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 121.469 0.652 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -148.76 -43.67 0.15 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 170.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.7 m -121.08 -80.85 0.63 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 125.353 1.461 . . . . 0.0 109.016 -168.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.5 m -173.63 -39.4 0.01 OUTLIER 'General case' 0 C--N 1.36 1.032 0 C-N-CA 126.03 1.732 . . . . 0.0 107.811 -158.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -83.08 8.8 11.91 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 127.268 2.227 . . . . 0.0 114.313 -171.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -108.69 1.87 21.49 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 128.223 2.609 . . . . 0.0 107.859 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -116.17 20.64 14.22 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 127.334 2.254 . . . . 0.0 107.906 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -110.01 127.94 55.11 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 172.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t 76.88 46.73 0.08 Allowed 'General case' 0 C--N 1.363 1.189 0 C-N-CA 127.857 2.463 . . . . 0.0 111.803 -171.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.4 p -123.05 -50.91 2.65 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 C-N-CA 125.424 1.49 . . . . 0.0 107.692 -174.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.2 m -112.76 0.77 15.38 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 127.411 2.285 . . . . 0.0 108.936 176.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -95.81 -22.13 17.68 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 127.306 2.242 . . . . 0.0 109.044 177.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 -31.29 21.24 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 128.272 2.629 . . . . 0.0 110.746 175.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -104.26 -63.45 1.2 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 125.476 1.51 . . . . 0.0 111.628 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -101.73 -0.93 33.59 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.118 1.367 . . . . 0.0 114.529 -161.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 t30 84.08 29.47 0.07 Allowed 'General case' 0 C--N 1.368 1.393 0 C-N-CA 127.417 2.287 . . . . 0.0 113.971 167.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.2 p -109.74 -160.69 0.73 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 125.456 1.502 . . . . 0.0 107.804 -171.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.0 m -112.61 -109.13 0.36 Allowed 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.854 1.262 . . . . 0.0 110.934 -170.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -93.52 -174.03 3.37 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 127.016 2.127 . . . . 0.0 112.704 -165.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.48 167.18 39.35 Favored Glycine 0 CA--C 1.489 -1.548 0 N-CA-C 107.806 -2.117 . . . . 0.0 107.806 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -139.21 174.49 10.46 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 166.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.5 t -121.07 130.02 53.58 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -97.86 -89.24 0.29 Allowed 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.022 1.729 . . . . 0.0 109.335 -177.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -145.58 -49.6 0.23 Allowed 'General case' 0 C--N 1.358 0.961 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -172.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -85.88 -27.16 25.19 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.293 2.237 . . . . 0.0 113.023 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.64 -156.37 25.83 Favored Glycine 0 C--N 1.357 1.738 0 N-CA-C 107.719 -2.152 . . . . 0.0 107.719 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.1 m -88.93 154.32 20.33 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.644 1.978 . . . . 0.0 111.826 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.9 mm -112.13 140.53 31.32 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.4 m -126.27 112.94 16.31 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 124.835 1.254 . . . . 0.0 107.617 -175.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -108.68 152.51 24.72 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.154 1.782 . . . . 0.0 108.538 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.26 1.648 0 C-N-CA 126.077 1.751 . . . . 0.0 110.267 178.154 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 121.251 0.548 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -147.39 -26.18 0.38 Allowed 'General case' 0 C--N 1.36 1.065 0 C-N-CA 123.795 0.838 . . . . 0.0 109.011 -175.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 p -126.18 -86.16 0.61 Allowed 'General case' 0 C--N 1.363 1.193 0 C-N-CA 124.038 0.935 . . . . 0.0 108.865 -175.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.3 m -166.02 -42.23 0.03 OUTLIER 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.86 1.664 . . . . 0.0 107.072 -170.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -87.8 23.89 1.9 Allowed 'General case' 0 C--N 1.37 1.473 0 C-N-CA 126.598 1.959 . . . . 0.0 114.56 -169.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -113.7 1.73 14.98 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 126.91 2.084 . . . . 0.0 107.274 170.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.2 m -117.79 9.59 13.02 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 127.088 2.155 . . . . 0.0 108.841 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -99.57 129.03 45.7 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.352 81.0 p 64.25 44.51 4.34 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 129.136 2.974 . . . . 0.0 114.88 -174.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.1 p -112.23 -40.98 3.87 Favored 'Isoleucine or valine' 0 C--N 1.363 1.183 0 C-N-CA 126.92 2.088 . . . . 0.0 108.425 -169.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.4 m -107.48 10.55 29.36 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.717 2.007 . . . . 0.0 110.081 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -95.37 -30.22 14.03 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 126.513 1.925 . . . . 0.0 107.977 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -72.28 -28.8 63.34 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 131.162 3.785 . . . . 0.0 112.747 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mp -101.03 -60.58 1.5 Allowed 'General case' 0 C--N 1.366 1.288 0 C-N-CA 126.723 2.009 . . . . 0.0 108.844 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -108.04 -114.74 0.28 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.705 1.602 . . . . 0.0 109.451 -171.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -162.75 43.3 0.12 Allowed 'General case' 0 C--N 1.365 1.267 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.401 HG21 ' HG ' ' A' ' 31' ' ' SER . 27.7 p -133.75 127.02 31.9 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 -174.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.0 m -77.89 -90.71 0.04 OUTLIER 'General case' 0 C--N 1.357 0.893 0 C-N-CA 127.887 2.475 . . . . 0.0 116.252 -162.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -83.45 154.56 23.88 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 129.249 3.02 . . . . 0.0 112.027 -164.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.67 178.19 28.26 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -177.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.5 p90 -144.56 171.86 13.78 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 168.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 t -107.75 126.68 52.91 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 125.475 1.51 . . . . 0.0 107.923 -174.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -101.02 -8.78 22.04 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 126.165 1.786 . . . . 0.0 109.771 173.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.294 70.7 m80 80.3 6.85 1.59 Allowed 'General case' 0 C--N 1.368 1.376 0 C-N-CA 129.37 3.068 . . . . 0.0 114.417 172.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -104.6 -23.66 13.08 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 128.286 2.635 . . . . 0.0 107.858 169.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.13 -162.29 31.12 Favored Glycine 0 C--N 1.356 1.693 0 N-CA-C 105.135 -3.186 . . . . 0.0 105.135 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.6 m -101.88 163.51 12.21 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 126.046 1.738 . . . . 0.0 109.42 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.9 mm -112.98 143.48 22.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 103.521 -2.77 . . . . 0.0 103.521 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -131.65 115.86 16.61 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -120.31 149.94 41.5 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.401 ' HG ' HG21 ' A' ' 17' ' ' THR . 48.3 m . . . . . 0 C--O 1.259 1.599 0 C-N-CA 125.158 1.383 . . . . 0.0 111.788 -175.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.644 0.735 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -145.54 -29.67 0.43 Allowed 'General case' 0 C--N 1.358 0.939 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.0 p -123.75 161.27 25.52 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 125.71 1.604 . . . . 0.0 107.725 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.6 p -70.79 -31.05 67.7 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 129.279 3.032 . . . . 0.0 113.291 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -90.54 15.11 11.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.836 2.454 . . . . 0.0 113.58 -177.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -113.26 2.39 15.54 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.251 2.221 . . . . 0.0 107.982 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.2 m -117.34 11.62 14.04 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.572 1.949 . . . . 0.0 109.037 175.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -92.65 -23.76 18.88 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 126.419 1.887 . . . . 0.0 111.418 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 p -132.07 57.13 1.79 Allowed 'General case' 0 C--N 1.357 0.933 0 C-N-CA 125.585 1.554 . . . . 0.0 107.198 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.09 -47.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.364 1.221 0 C-N-CA 124.954 1.301 . . . . 0.0 108.932 -174.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.0 m -107.6 -0.73 21.8 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.034 2.133 . . . . 0.0 111.108 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 17.42 21.45 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.87 1.668 . . . . 0.0 108.97 168.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -107.79 -4.08 18.43 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 128.222 2.609 . . . . 0.0 107.79 163.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.5 mt -117.75 -51.71 2.47 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.148 2.179 . . . . 0.0 108.37 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -98.7 -99.19 0.22 Allowed 'General case' 0 C--N 1.366 1.309 0 C-N-CA 126.242 1.817 . . . . 0.0 109.966 -174.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -155.91 -59.41 0.1 Allowed 'General case' 0 C--N 1.366 1.286 0 CA-C-N 119.381 0.992 . . . . 0.0 110.87 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -135.84 127.25 28.53 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 -177.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.3 m -150.25 152.53 34.7 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.85 1.26 . . . . 0.0 110.057 -173.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.15 176.51 7.0 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 168.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.7 175.17 47.2 Favored Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -150.51 169.4 21.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 N-CA-C 104.612 -2.366 . . . . 0.0 104.612 169.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.5 t -105.02 121.77 44.47 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.288 1.435 . . . . 0.0 108.571 -175.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -109.45 178.1 4.54 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 169.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.54 9.59 17.95 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.141 1.777 . . . . 0.0 113.589 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -98.35 -44.04 6.69 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 128.371 2.668 . . . . 0.0 109.097 176.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.8 -152.62 22.35 Favored Glycine 0 C--N 1.353 1.475 0 N-CA-C 105.331 -3.108 . . . . 0.0 105.331 -174.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 m -85.28 142.73 29.17 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 125.806 1.642 . . . . 0.0 110.853 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 mm -91.39 134.64 29.26 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 C-N-CA 128.319 2.648 . . . . 0.0 106.379 168.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.3 m -119.81 124.92 47.31 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 177.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -107.27 37.8 2.29 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 127.709 2.404 . . . . 0.0 109.236 177.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.7 p . . . . . 0 C--O 1.259 1.563 0 C-N-CA 128.921 2.888 . . . . 0.0 113.861 176.365 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 121.386 0.612 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.8 t -150.96 -18.14 0.21 Allowed 'General case' 0 C--N 1.359 0.989 0 C-N-CA 124.137 0.975 . . . . 0.0 108.393 -177.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.1 p -107.28 132.92 52.57 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.848 1.659 . . . . 0.0 107.36 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.8 m -62.47 -20.91 65.04 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 129.26 3.024 . . . . 0.0 117.263 -167.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -91.14 22.43 3.77 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 126.899 2.079 . . . . 0.0 112.619 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -116.84 11.63 14.52 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 126.739 2.015 . . . . 0.0 108.514 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.8 m -141.9 29.21 1.7 Allowed 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.664 1.585 . . . . 0.0 108.405 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -101.76 130.05 48.08 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 172.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 m 70.48 47.26 0.51 Allowed 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.477 2.311 . . . . 0.0 112.051 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.0 p -113.9 -46.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.366 1.309 0 C-N-CA 126.342 1.857 . . . . 0.0 109.079 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.0 m -118.7 -2.29 10.97 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 127.161 2.184 . . . . 0.0 108.982 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.93 16.31 21.31 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 126.091 1.756 . . . . 0.0 109.353 170.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.05 -24.14 13.64 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 127.449 2.3 . . . . 0.0 108.45 160.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mp -96.51 -49.16 5.26 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.473 2.309 . . . . 0.0 109.666 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -99.6 -98.87 0.23 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 125.653 1.581 . . . . 0.0 109.366 -175.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -158.61 -58.26 0.07 Allowed 'General case' 0 C--N 1.363 1.17 0 CA-C-N 119.024 0.829 . . . . 0.0 110.919 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 p -130.19 128.32 41.47 Favored 'General case' 0 C--N 1.363 1.194 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.2 m -149.8 144.6 26.11 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 125.627 1.571 . . . . 0.0 108.099 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -120.34 110.53 16.65 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 103.65 -2.722 . . . . 0.0 103.65 172.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.3 145.31 18.68 Favored Glycine 0 C--N 1.356 1.641 0 C-N-CA 124.298 0.951 . . . . 0.0 111.341 -171.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -137.84 174.99 9.98 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 170.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.1 m -110.53 141.64 43.41 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.355 1.862 . . . . 0.0 107.088 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -101.92 -85.89 0.43 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 125.979 1.712 . . . . 0.0 106.802 170.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -152.4 -46.95 0.1 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -82.12 -21.95 36.43 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 128.116 2.566 . . . . 0.0 114.496 -171.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.78 -151.98 19.2 Favored Glycine 0 C--N 1.356 1.676 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 97.8 m -94.66 160.12 14.77 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 126.659 1.984 . . . . 0.0 111.739 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.6 mm -117.89 122.01 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 102.421 -3.177 . . . . 0.0 102.421 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.6 m -114.2 112.76 23.67 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 124.523 1.129 . . . . 0.0 108.056 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -111.41 -157.67 0.62 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 126.048 1.739 . . . . 0.0 107.957 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.261 1.688 0 C-N-CA 125.783 1.633 . . . . 0.0 108.457 174.53 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 121.595 0.712 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -143.54 -34.65 0.4 Allowed 'General case' 0 C--N 1.358 0.941 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -128.51 170.88 12.65 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 125.785 1.634 . . . . 0.0 106.74 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.6 p -72.27 -25.62 61.67 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 128.673 2.789 . . . . 0.0 112.902 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -86.54 0.22 54.77 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.463 2.705 . . . . 0.0 112.714 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -98.75 -8.06 26.64 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 127.731 2.412 . . . . 0.0 108.959 174.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.8 m -114.35 22.07 14.07 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 126.932 2.093 . . . . 0.0 109.275 176.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -107.35 132.86 52.68 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 169.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.538 ' H ' HE21 ' A' ' 12' ' ' GLN . 67.6 m 73.05 55.28 0.12 Allowed 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.421 2.288 . . . . 0.0 110.834 -177.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.08 -54.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.266 0 C-N-CA 125.556 1.542 . . . . 0.0 107.426 -169.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.6 m -113.55 2.99 15.52 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 127.182 2.193 . . . . 0.0 109.722 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.538 HE21 ' H ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -108.89 14.22 24.32 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.095 1.758 . . . . 0.0 108.171 168.267 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -110.57 -2.83 16.25 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.975 2.11 . . . . 0.0 109.16 159.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.4 mt -110.45 -45.2 3.57 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.298 1.839 . . . . 0.0 108.692 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -105.26 -109.67 0.28 Allowed 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.166 1.786 . . . . 0.0 107.967 -177.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -147.05 -62.35 0.29 Allowed 'General case' 0 C--N 1.363 1.182 0 CA-C-N 119.285 0.948 . . . . 0.0 109.241 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 p -127.24 127.63 44.73 Favored 'General case' 0 C--N 1.361 1.104 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.263 70.4 m -145.52 136.69 24.83 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 125.287 1.435 . . . . 0.0 108.987 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.623 ' HA ' ' HZ3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -112.03 120.18 40.99 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 176.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.38 154.44 21.05 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -171.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.9 p90 -146.35 172.47 13.45 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 105.118 -2.178 . . . . 0.0 105.118 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -110.36 129.51 55.74 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 126.001 1.721 . . . . 0.0 107.281 -174.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -103.01 -90.07 0.37 Allowed 'General case' 0 C--N 1.364 1.197 0 C-N-CA 125.608 1.563 . . . . 0.0 108.354 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -151.14 -46.77 0.12 Allowed 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -171.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -80.62 -22.58 40.48 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.461 2.705 . . . . 0.0 114.064 -174.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.94 -154.97 26.01 Favored Glycine 0 C--N 1.357 1.722 0 N-CA-C 106.243 -2.743 . . . . 0.0 106.243 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.4 m -88.55 158.03 18.42 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.4 1.88 . . . . 0.0 111.161 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.1 mm -111.37 139.0 37.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 N-CA-C 103.277 -2.86 . . . . 0.0 103.277 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.8 m -130.4 117.08 19.16 Favored 'General case' 0 C--N 1.359 1.006 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -118.37 -154.43 0.56 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.253 1.821 . . . . 0.0 106.753 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.4 t . . . . . 0 C--O 1.259 1.585 0 C-N-CA 125.836 1.654 . . . . 0.0 107.278 172.67 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 121.368 0.604 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -108.73 -49.64 3.13 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.931 2.092 . . . . 0.0 107.992 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.0 p -122.64 178.57 4.94 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 126.239 1.816 . . . . 0.0 107.343 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.6 m -69.65 -27.04 64.7 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 129.169 2.988 . . . . 0.0 114.054 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -90.58 19.55 5.27 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 127.456 2.302 . . . . 0.0 112.81 -176.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -108.45 -6.8 16.0 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.008 2.123 . . . . 0.0 108.634 174.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.0 m -115.24 14.54 16.93 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.239 1.816 . . . . 0.0 110.035 -174.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.7 m0 -98.28 -22.67 16.0 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.39 1.876 . . . . 0.0 109.711 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 t -129.95 62.94 1.55 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -131.45 -50.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.246 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.9 m -109.22 3.55 21.89 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 127.006 2.123 . . . . 0.0 109.71 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -96.16 -30.33 13.57 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 126.966 2.106 . . . . 0.0 108.252 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -84.59 -28.03 26.83 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 128.844 2.857 . . . . 0.0 112.054 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.8 mt -101.99 -51.27 3.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.554 1.542 . . . . 0.0 110.137 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -106.96 -128.68 0.27 Allowed 'General case' 0 C--N 1.367 1.355 0 C-N-CA 124.873 1.269 . . . . 0.0 108.924 -175.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -151.84 36.74 0.56 Allowed 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.614 1.097 . . . . 0.0 108.593 -167.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.5 p -112.34 -163.98 0.89 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -175.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.9 t -123.73 -104.49 0.37 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.486 1.114 . . . . 0.0 109.496 -166.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' HG2' ' H ' ' A' ' 20' ' ' GLY . 62.4 tttt -87.26 179.35 6.64 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 128.872 2.869 . . . . 0.0 111.844 -165.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.408 ' H ' ' HG2' ' A' ' 19' ' ' LYS . . . -174.29 176.9 46.65 Favored Glycine 0 CA--C 1.49 -1.497 0 N-CA-C 108.474 -1.85 . . . . 0.0 108.474 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 36.3 p90 -146.48 170.38 16.98 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 168.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -107.09 123.03 47.64 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 125.243 1.417 . . . . 0.0 108.355 -174.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -107.45 175.6 5.44 Favored 'General case' 0 C--N 1.362 1.142 0 N-CA-C 104.994 -2.224 . . . . 0.0 104.994 168.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -90.12 24.74 2.38 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.728 1.611 . . . . 0.0 113.419 -171.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -116.57 -46.55 2.76 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 128.305 2.642 . . . . 0.0 107.715 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.2 -154.14 18.5 Favored Glycine 0 C--N 1.356 1.657 0 N-CA-C 105.75 -2.94 . . . . 0.0 105.75 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.3 m -87.88 145.88 25.84 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.806 1.643 . . . . 0.0 111.515 177.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.0 mm -94.09 135.25 29.02 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 C-N-CA 128.794 2.838 . . . . 0.0 105.711 166.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.8 m -123.57 114.85 20.59 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.198 1.399 . . . . 0.0 107.233 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -112.01 148.37 33.98 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.342 1.857 . . . . 0.0 107.634 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.26 1.609 0 C-N-CA 125.789 1.636 . . . . 0.0 110.616 -178.87 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.399 0.618 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 p -105.55 -63.1 1.28 Allowed 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.576 1.95 . . . . 0.0 106.348 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.0 p -139.18 -150.71 0.34 Allowed 'General case' 0 C--N 1.359 0.983 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.4 p -62.61 -27.2 69.04 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 130.296 3.439 . . . . 0.0 115.277 172.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -80.25 -4.89 55.02 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.048 2.139 . . . . 0.0 115.748 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -103.61 1.28 31.87 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.436 1.894 . . . . 0.0 109.623 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -107.9 10.67 28.46 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 126.532 1.933 . . . . 0.0 109.458 174.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -96.17 -21.77 17.7 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 127.396 2.278 . . . . 0.0 109.76 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 t -131.65 68.61 1.49 Allowed 'General case' 0 C--N 1.356 0.886 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -142.88 -52.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -174.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.2 m -107.51 5.25 26.96 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.36 2.264 . . . . 0.0 109.592 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -93.65 -29.81 15.25 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 127.617 2.367 . . . . 0.0 108.448 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -97.42 -4.09 38.91 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 128.217 2.607 . . . . 0.0 111.789 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tt -115.36 -55.65 2.43 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.497 1.519 . . . . 0.0 107.426 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -106.88 -124.95 0.24 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.726 1.61 . . . . 0.0 108.25 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -154.17 37.96 0.44 Allowed 'General case' 0 C--N 1.365 1.27 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.8 p -112.18 -165.15 0.97 Allowed 'General case' 0 C--N 1.361 1.093 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -173.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -125.88 -105.36 0.34 Allowed 'General case' 0 C--N 1.354 0.8 0 C-N-CA 124.347 1.059 . . . . 0.0 108.938 -165.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.45 ' HG2' ' H ' ' A' ' 20' ' ' GLY . 52.6 tttt -85.12 -178.32 6.76 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.729 2.812 . . . . 0.0 112.525 -164.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.45 ' H ' ' HG2' ' A' ' 19' ' ' LYS . . . -178.27 178.27 48.55 Favored Glycine 0 CA--C 1.491 -1.464 0 N-CA-C 108.286 -1.926 . . . . 0.0 108.286 -175.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.6 p90 -150.23 160.73 43.47 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 104.639 -2.356 . . . . 0.0 104.639 169.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.9 t -106.71 121.85 45.18 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.826 0.851 . . . . 0.0 109.515 -174.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -105.91 177.98 4.7 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.103 2.161 . . . . 0.0 105.712 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -89.82 17.45 6.65 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 125.655 1.582 . . . . 0.0 113.345 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.31 -16.39 12.01 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.905 2.482 . . . . 0.0 109.957 174.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.48 -161.5 27.97 Favored Glycine 0 C--N 1.364 2.089 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.9 m -90.31 135.62 33.56 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.102 1.761 . . . . 0.0 110.423 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.4 mm -84.95 138.22 19.46 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 C-N-CA 128.618 2.767 . . . . 0.0 107.102 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.3 m -126.21 113.61 17.22 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -112.3 148.57 33.92 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.379 1.872 . . . . 0.0 107.503 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.26 1.63 0 C-N-CA 125.64 1.576 . . . . 0.0 110.72 -178.413 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.398 0.618 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 t -157.54 31.98 0.27 Allowed 'General case' 0 C--N 1.358 0.966 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.2 p -111.47 -116.97 0.31 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.299 1.839 . . . . 0.0 107.171 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.1 m -160.91 -48.77 0.05 OUTLIER 'General case' 0 C--N 1.356 0.861 0 N-CA-C 104.437 -2.431 . . . . 0.0 104.437 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -91.85 47.26 1.33 Allowed 'General case' 0 C--N 1.37 1.475 0 C-N-CA 127.701 2.4 . . . . 0.0 111.138 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -129.93 17.66 5.64 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 163.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -147.73 24.97 1.07 Allowed 'General case' 0 C--N 1.365 1.255 0 C-N-CA 126.532 1.933 . . . . 0.0 108.057 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -95.7 130.42 42.6 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 120.524 -1.36 . . . . 0.0 108.512 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m 70.0 51.66 0.41 Allowed 'General case' 0 C--N 1.368 1.398 0 C-N-CA 128.039 2.536 . . . . 0.0 112.177 -176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.02 -59.17 3.38 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 C-N-CA 126.256 1.822 . . . . 0.0 109.087 -170.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.7 m -110.35 -0.84 17.46 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 127.834 2.454 . . . . 0.0 109.127 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -90.16 -28.94 18.59 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 127.755 2.422 . . . . 0.0 109.429 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -89.04 -25.74 21.79 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 128.462 2.705 . . . . 0.0 111.652 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -110.27 -60.09 1.85 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 125.369 1.467 . . . . 0.0 111.089 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -101.16 -2.82 30.39 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.083 1.353 . . . . 0.0 113.681 -167.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 m120 79.14 31.1 0.3 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 127.743 2.417 . . . . 0.0 114.826 169.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.2 p -110.8 -160.91 0.73 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.107 1.763 . . . . 0.0 107.102 -172.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.5 m -108.85 -112.55 0.3 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.344 1.058 . . . . 0.0 110.846 -172.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -77.83 138.5 38.98 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 126.542 1.937 . . . . 0.0 114.889 -164.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.97 129.82 6.68 Favored Glycine 0 C--N 1.356 1.655 0 N-CA-C 106.411 -2.676 . . . . 0.0 106.411 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -135.86 166.66 22.79 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.1 m -100.28 142.68 31.42 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.817 1.647 . . . . 0.0 108.377 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -107.72 -83.69 0.54 Allowed 'General case' 0 C--N 1.359 1.019 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 169.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -149.19 -48.62 0.14 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.518 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 2.3 mpt_? -80.83 -36.96 30.86 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 128.636 2.774 . . . . 0.0 113.512 -169.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.57 -151.34 9.12 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.464 -2.254 . . . . 0.0 107.464 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.2 m -94.92 156.16 16.45 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.711 2.004 . . . . 0.0 110.493 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.4 mm -117.52 105.3 17.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.046 0 N-CA-C 104.605 -2.368 . . . . 0.0 104.605 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 62.1 m -104.17 100.72 10.46 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 125.633 1.573 . . . . 0.0 109.337 -170.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -115.98 153.75 31.06 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 125.528 1.531 . . . . 0.0 108.532 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 C--O 1.26 1.611 0 C-N-CA 126.241 1.816 . . . . 0.0 110.891 178.454 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.442 0.639 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 p -104.42 -51.93 3.01 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.935 2.094 . . . . 0.0 109.103 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.9 p -128.11 178.19 6.39 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.862 1.665 . . . . 0.0 107.368 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.1 t -70.07 -33.29 71.73 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.781 3.232 . . . . 0.0 111.477 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.29 17.72 7.98 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.951 2.501 . . . . 0.0 112.52 -177.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -97.95 -25.66 14.91 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.712 2.405 . . . . 0.0 107.427 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -100.58 9.78 42.05 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 127.224 2.21 . . . . 0.0 111.66 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -93.0 -17.63 23.68 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.462 1.905 . . . . 0.0 110.832 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 p -136.47 61.23 1.64 Allowed 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.443 1.497 . . . . 0.0 107.191 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.43 HG11 ' HG ' ' A' ' 18' ' ' SER . 5.9 p -128.47 -48.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.254 0 C-N-CA 124.48 1.112 . . . . 0.0 109.082 -174.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -106.82 3.46 26.45 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 126.16 1.784 . . . . 0.0 110.772 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.11 8.38 15.65 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.048 1.339 . . . . 0.0 109.409 171.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -100.69 -30.96 11.45 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 128.525 2.73 . . . . 0.0 108.12 168.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp -101.76 -59.57 1.68 Allowed 'General case' 0 C--N 1.367 1.33 0 C-N-CA 127.041 2.136 . . . . 0.0 109.466 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -98.55 -91.36 0.27 Allowed 'General case' 0 C--N 1.367 1.338 0 C-N-CA 124.976 1.31 . . . . 0.0 111.914 -168.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -149.48 -59.59 0.21 Allowed 'General case' 0 C--N 1.365 1.268 0 CA-C-N 118.923 0.783 . . . . 0.0 112.16 -173.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.5 p -133.16 138.64 46.68 Favored 'General case' 0 C--N 1.366 1.293 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -171.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.43 ' HG ' HG11 ' A' ' 10' ' ' VAL . 2.4 t -150.09 121.18 7.73 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.973 1.309 . . . . 0.0 109.8 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.64 84.17 2.07 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 103.508 -2.775 . . . . 0.0 103.508 165.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.51 -177.11 26.13 Favored Glycine 0 C--N 1.357 1.716 0 C-N-CA 125.289 1.423 . . . . 0.0 113.558 -168.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 36.6 p90 -150.38 168.76 23.18 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 169.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -111.11 121.5 45.49 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 126.562 1.945 . . . . 0.0 106.129 -175.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.94 -90.0 0.34 Allowed 'General case' 0 C--N 1.365 1.243 0 C-N-CA 125.031 1.332 . . . . 0.0 109.446 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -142.8 -47.99 0.33 Allowed 'General case' 0 C--N 1.358 0.963 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -170.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -86.24 -31.02 21.9 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.229 2.212 . . . . 0.0 112.405 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.01 -154.39 23.27 Favored Glycine 0 CA--C 1.487 -1.681 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.5 m -85.66 157.99 20.19 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 126.756 2.022 . . . . 0.0 111.411 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.4 mm -114.85 141.6 30.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.6 m -127.78 114.51 17.35 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 -178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -116.74 -165.79 1.1 Allowed 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.814 1.646 . . . . 0.0 106.911 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.261 1.665 0 C-N-CA 124.857 1.263 . . . . 0.0 108.951 176.037 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.63 0.728 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 p -114.66 -54.37 2.58 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.55 1.94 . . . . 0.0 105.794 165.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -139.19 -164.32 1.64 Allowed 'General case' 0 C--N 1.362 1.113 0 N-CA-C 106.182 -1.785 . . . . 0.0 106.182 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.0 p -64.6 -28.37 69.58 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 130.883 3.673 . . . . 0.0 114.214 169.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -86.35 2.21 48.29 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 128.056 2.543 . . . . 0.0 113.488 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -104.77 -6.76 20.02 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 126.903 2.081 . . . . 0.0 109.127 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 70.4 m -102.25 10.95 38.89 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 126.54 1.936 . . . . 0.0 110.126 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -96.4 -22.05 17.39 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.454 2.301 . . . . 0.0 109.187 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 p -128.66 65.76 1.42 Allowed 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.498 1.919 . . . . 0.0 106.364 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 p -140.62 -53.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.248 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m -106.03 6.13 30.92 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.245 2.218 . . . . 0.0 109.779 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -95.8 -32.44 12.69 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 127.095 2.158 . . . . 0.0 108.399 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -90.85 -12.0 37.59 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 128.181 2.592 . . . . 0.0 112.16 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 98.6 mt -110.97 -54.17 2.63 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 125.547 1.539 . . . . 0.0 108.981 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -105.44 -118.61 0.23 Allowed 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.008 1.323 . . . . 0.0 109.465 -173.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -163.98 42.45 0.1 Allowed 'General case' 0 C--N 1.363 1.177 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -169.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.9 p -121.44 -171.15 2.16 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.6 m -118.39 -105.83 0.39 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 124.878 1.271 . . . . 0.0 109.744 -168.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 mmtm -83.09 -174.94 5.58 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.588 2.755 . . . . 0.0 113.587 -166.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 177.68 177.13 46.26 Favored Glycine 0 CA--C 1.49 -1.51 0 N-CA-C 107.846 -2.102 . . . . 0.0 107.846 -173.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 31.5 p90 -148.77 164.21 35.07 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 168.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.2 t -110.43 122.52 47.92 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.371 0.668 . . . . 0.0 109.319 -174.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -106.0 -179.7 4.02 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.248 2.219 . . . . 0.0 105.697 169.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -86.76 14.63 6.8 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 126.112 1.765 . . . . 0.0 113.735 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -100.27 -46.76 5.17 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 128.499 2.72 . . . . 0.0 108.673 175.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.4 -152.1 20.38 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 105.821 -2.912 . . . . 0.0 105.821 -175.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.2 m -89.52 141.89 28.17 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.837 1.655 . . . . 0.0 110.905 174.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -89.27 138.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.152 0 C-N-CA 128.616 2.766 . . . . 0.0 106.345 165.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.8 m -125.2 115.91 21.17 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -113.84 148.92 35.81 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.446 1.898 . . . . 0.0 107.255 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.26 1.611 0 C-N-CA 125.649 1.58 . . . . 0.0 110.687 -179.022 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.74 0.781 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -144.83 -30.08 0.45 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.8 p -124.3 166.12 16.47 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 126.078 1.751 . . . . 0.0 107.001 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.6 m -72.39 -27.62 62.48 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 128.951 2.9 . . . . 0.0 112.8 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -88.17 10.6 18.84 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 128.304 2.642 . . . . 0.0 113.111 -176.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -98.37 -23.3 15.66 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 127.717 2.407 . . . . 0.0 107.834 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.3 m -99.27 10.79 40.73 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.245 2.218 . . . . 0.0 111.536 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -93.31 -18.5 22.38 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.68 1.992 . . . . 0.0 110.541 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -133.27 74.43 1.56 Allowed 'General case' 0 C--N 1.357 0.9 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 175.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.7 p -139.06 -50.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.399 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.8 m -104.3 4.71 33.95 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 126.321 1.848 . . . . 0.0 110.912 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.13 6.44 15.12 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.089 1.356 . . . . 0.0 109.422 170.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -100.83 -28.55 12.73 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.072 2.549 . . . . 0.0 107.758 168.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mp -99.54 -62.37 1.25 Allowed 'General case' 0 C--N 1.368 1.381 0 C-N-CA 127.214 2.205 . . . . 0.0 109.554 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -97.69 -91.7 0.25 Allowed 'General case' 0 C--N 1.366 1.305 0 C-N-CA 125.063 1.345 . . . . 0.0 112.058 -167.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -148.27 -60.2 0.25 Allowed 'General case' 0 C--N 1.365 1.279 0 CA-C-N 119.085 0.857 . . . . 0.0 112.19 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -135.12 136.18 41.73 Favored 'General case' 0 C--N 1.365 1.256 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -146.21 126.22 13.69 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 125.254 1.422 . . . . 0.0 109.588 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -139.32 91.03 2.47 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 164.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.09 -175.14 22.77 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 124.992 1.282 . . . . 0.0 113.029 -169.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -150.51 167.29 27.63 Favored 'General case' 0 N--CA 1.433 -1.294 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 169.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.4 t -109.35 121.85 46.09 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 126.065 1.746 . . . . 0.0 106.387 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -99.52 -87.52 0.36 Allowed 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.021 1.328 . . . . 0.0 109.684 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -141.88 -49.36 0.38 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -91.62 -27.65 18.0 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.243 2.217 . . . . 0.0 112.155 -170.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.57 -154.53 23.17 Favored Glycine 0 C--N 1.357 1.705 0 N-CA-C 107.569 -2.212 . . . . 0.0 107.569 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.8 m -87.05 158.69 19.16 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 126.94 2.096 . . . . 0.0 111.365 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 mm -114.92 144.21 22.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 N-CA-C 102.785 -3.043 . . . . 0.0 102.785 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 96.2 m -129.66 116.87 19.47 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -114.04 150.75 33.5 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 125.427 1.491 . . . . 0.0 107.635 176.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.26 1.616 0 C-N-CA 124.91 1.284 . . . . 0.0 109.18 179.848 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 121.2 0.524 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.4 p -114.91 -38.95 3.78 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.252 1.821 . . . . 0.0 110.08 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.41 ' HG1' ' H ' ' A' ' 4' ' ' SER . 16.7 p -123.07 -78.36 0.6 Allowed 'General case' 0 C--N 1.364 1.223 0 C-N-CA 124.419 1.088 . . . . 0.0 110.592 -168.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.41 ' H ' ' HG1' ' A' ' 3' ' ' THR . 23.3 t -177.38 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.357 0.908 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 -162.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -73.77 -11.68 60.46 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 128.892 2.877 . . . . 0.0 114.998 -172.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -94.88 0.08 54.47 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 126.902 2.081 . . . . 0.0 110.182 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.9 m -114.46 15.92 17.8 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.193 2.197 . . . . 0.0 108.56 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -107.24 134.24 50.62 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 169.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m 73.76 46.19 0.21 Allowed 'General case' 0 C--N 1.363 1.193 0 C-N-CA 126.779 2.032 . . . . 0.0 111.933 -176.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.5 -49.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.363 1.19 0 C-N-CA 126.122 1.769 . . . . 0.0 108.273 -171.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.1 m -116.12 2.75 13.43 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 128.134 2.574 . . . . 0.0 108.784 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.514 ' HG3' ' H ' ' A' ' 18' ' ' SER . 6.0 tt0 -103.51 -36.04 8.11 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.579 2.352 . . . . 0.0 107.987 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -80.69 -20.29 43.24 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 129.019 2.927 . . . . 0.0 112.526 170.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.4 tp -94.82 -51.04 4.87 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 126.212 1.805 . . . . 0.0 110.492 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -100.1 -90.55 0.31 Allowed 'General case' 0 C--N 1.367 1.347 0 C-N-CA 125.325 1.45 . . . . 0.0 108.83 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.53 -53.22 0.04 OUTLIER 'General case' 0 C--N 1.363 1.174 0 CA-C-N 119.053 0.842 . . . . 0.0 112.258 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 p -121.68 127.54 50.88 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.514 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.252 5.6 t -164.33 136.55 4.75 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 124.965 1.306 . . . . 0.0 112.577 174.158 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -118.39 159.31 23.67 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 103.951 -2.611 . . . . 0.0 103.951 160.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.97 167.11 33.2 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 -173.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -140.58 172.66 12.4 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 169.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.6 t -110.38 127.75 55.23 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.853 1.661 . . . . 0.0 107.639 -173.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -101.89 -9.93 20.29 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.196 1.798 . . . . 0.0 109.816 173.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.287 72.8 m80 79.97 8.44 1.54 Allowed 'General case' 0 C--N 1.367 1.36 0 C-N-CA 129.519 3.127 . . . . 0.0 114.112 175.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -104.87 -23.09 13.06 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 128.529 2.732 . . . . 0.0 107.856 171.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.23 -160.92 31.71 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 104.827 -3.309 . . . . 0.0 104.827 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.9 m -104.52 162.91 12.85 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.9 1.68 . . . . 0.0 108.854 175.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.1 mm -114.88 138.78 43.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.0 m -124.83 121.11 33.64 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 124.807 1.243 . . . . 0.0 108.469 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -102.66 -176.51 3.12 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 127.763 2.425 . . . . 0.0 107.528 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--O 1.26 1.625 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 173.08 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.699 0.762 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -145.36 -29.64 0.43 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 p -127.4 167.14 16.63 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 125.61 1.564 . . . . 0.0 107.452 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 t -70.63 -31.5 68.47 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 129.869 3.268 . . . . 0.0 112.372 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -91.55 12.39 21.04 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 127.289 2.235 . . . . 0.0 112.896 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -111.61 8.44 20.88 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.302 2.241 . . . . 0.0 107.59 170.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.8 m -124.22 18.15 9.1 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 127.157 2.183 . . . . 0.0 107.78 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.7 m0 -106.28 131.8 53.08 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 169.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.361 46.3 p 73.28 44.88 0.3 Allowed 'General case' 0 C--N 1.362 1.139 0 C-N-CA 128.473 2.709 . . . . 0.0 112.527 -174.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.69 -48.42 4.96 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 126.279 1.832 . . . . 0.0 108.397 -171.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.3 m -116.96 0.28 12.39 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.339 2.256 . . . . 0.0 108.683 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -97.55 -21.38 17.12 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.502 1.921 . . . . 0.0 108.329 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -80.88 -39.21 26.74 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 129.083 2.953 . . . . 0.0 111.454 172.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.6 mt -97.85 -48.14 5.3 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.662 1.585 . . . . 0.0 111.408 -172.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -108.06 -112.23 0.3 Allowed 'General case' 0 C--N 1.364 1.218 0 C-N-CA 125.177 1.391 . . . . 0.0 109.722 -175.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -167.12 48.67 0.06 Allowed 'General case' 0 C--N 1.365 1.243 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -166.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 p -111.12 -152.44 0.5 Allowed 'General case' 0 C--N 1.361 1.089 0 O-C-N 120.912 -1.118 . . . . 0.0 109.944 -169.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.4 t -147.04 -91.44 0.09 Allowed 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -88.58 148.06 24.28 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 127.895 2.478 . . . . 0.0 112.137 -167.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.42 156.07 26.49 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.733 -2.147 . . . . 0.0 107.733 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -144.14 172.47 12.85 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 172.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -110.97 126.62 54.96 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 126.117 1.767 . . . . 0.0 106.969 -174.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -101.28 -89.18 0.36 Allowed 'General case' 0 C--N 1.364 1.239 0 C-N-CA 125.745 1.618 . . . . 0.0 108.602 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -153.75 -48.14 0.09 Allowed 'General case' 0 C--N 1.357 0.912 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 -171.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -78.52 -23.71 46.14 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 128.57 2.748 . . . . 0.0 114.137 -175.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.5 -153.53 24.44 Favored Glycine 0 C--N 1.357 1.734 0 N-CA-C 106.622 -2.591 . . . . 0.0 106.622 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.3 m -91.39 160.07 15.66 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 126.65 1.98 . . . . 0.0 110.802 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -115.1 139.98 38.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 C-N-CA 128.557 2.743 . . . . 0.0 103.845 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.5 m -130.49 117.4 19.56 Favored 'General case' 0 C--N 1.361 1.074 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -107.22 21.52 17.39 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 125.906 1.683 . . . . 0.0 113.895 -167.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.6 m . . . . . 0 C--O 1.26 1.628 0 C-N-CA 127.337 2.255 . . . . 0.0 114.616 172.596 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 121.633 0.73 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -142.49 -39.87 0.35 Allowed 'General case' 0 C--N 1.356 0.891 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 162.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -140.68 -168.35 2.56 Favored 'General case' 0 C--N 1.363 1.186 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.6 t -58.6 -35.25 72.15 Favored 'General case' 0 C--N 1.365 1.257 1 C-N-CA 132.081 4.152 . . . . 0.0 115.56 178.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -89.75 14.26 12.28 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 126.664 1.985 . . . . 0.0 114.986 -168.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -109.43 5.54 23.47 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.175 2.19 . . . . 0.0 107.687 173.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.7 m -120.15 9.37 11.11 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.376 1.871 . . . . 0.0 109.031 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -91.71 -25.72 18.96 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.435 1.894 . . . . 0.0 111.075 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 t -131.74 60.27 1.68 Allowed 'General case' 0 C--N 1.359 1.021 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.9 p -124.98 -46.32 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.239 0 C-N-CA 125.022 1.329 . . . . 0.0 109.184 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.1 m -115.61 -0.81 12.89 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.41 2.284 . . . . 0.0 109.09 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.628 ' HG3' ' H ' ' A' ' 18' ' ' SER . 4.5 tt0 -97.88 -31.28 12.28 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 128.166 2.586 . . . . 0.0 108.594 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 tmt_? -78.32 -28.62 47.39 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 129.327 3.051 . . . . 0.0 112.312 170.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.67 -49.3 6.36 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.56 1.944 . . . . 0.0 111.106 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -99.13 -93.34 0.26 Allowed 'General case' 0 C--N 1.365 1.241 0 C-N-CA 125.153 1.381 . . . . 0.0 108.845 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -159.94 -57.42 0.06 Allowed 'General case' 0 C--N 1.365 1.25 0 CA-C-N 119.863 1.21 . . . . 0.0 111.113 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.2 p -123.04 122.0 37.43 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.628 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.27 69.0 m -153.78 144.45 22.53 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 125.951 1.701 . . . . 0.0 111.926 173.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -135.57 134.13 39.06 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 102.761 -3.051 . . . . 0.0 102.761 173.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.72 -179.44 16.98 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-O 122.026 0.792 . . . . 0.0 111.183 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.7 p90 -150.09 167.1 27.76 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 104.325 -2.472 . . . . 0.0 104.325 168.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.4 t -116.29 124.4 50.06 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 106.887 -1.524 . . . . 0.0 106.887 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -98.73 -88.34 0.33 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.787 1.635 . . . . 0.0 109.726 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -140.33 -48.31 0.44 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -170.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -87.53 -29.74 21.1 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 127.196 2.199 . . . . 0.0 112.623 -171.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.98 -153.89 23.46 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 107.353 -2.299 . . . . 0.0 107.353 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.2 m -85.86 153.51 22.18 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 126.796 2.038 . . . . 0.0 111.85 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -113.21 136.11 50.6 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 N-CA-C 103.016 -2.957 . . . . 0.0 103.016 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.7 m -124.24 116.43 22.67 Favored 'General case' 0 C--N 1.359 1.006 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -111.28 -154.35 0.54 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.217 1.807 . . . . 0.0 107.081 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--O 1.261 1.691 0 C-N-CA 125.414 1.485 . . . . 0.0 108.245 172.654 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.407 0.623 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -141.35 -33.2 0.52 Allowed 'General case' 0 C--N 1.359 1.013 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 p -133.62 173.61 11.32 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.1 p -73.75 -24.75 59.92 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.269 2.628 . . . . 0.0 112.54 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -84.72 -9.26 58.39 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 128.651 2.78 . . . . 0.0 112.067 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -91.76 -7.16 50.44 Favored 'General case' 0 C--N 1.368 1.376 0 C-N-CA 127.525 2.33 . . . . 0.0 110.036 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.1 m -113.16 25.44 11.36 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 127.009 2.124 . . . . 0.0 109.575 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -108.77 130.69 55.38 Favored 'General case' 0 C--N 1.361 1.073 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 170.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.402 ' H ' HE21 ' A' ' 12' ' ' GLN . 5.5 t 80.8 49.58 0.02 OUTLIER 'General case' 0 C--N 1.366 1.295 0 C-N-CA 128.753 2.821 . . . . 0.0 109.569 -172.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.08 -59.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.364 1.223 0 C-N-CA 125.86 1.664 . . . . 0.0 108.713 -171.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.0 m -117.93 7.93 12.45 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 127.313 2.245 . . . . 0.0 108.833 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.402 HE21 ' H ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -110.04 10.45 24.11 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 126.567 1.947 . . . . 0.0 107.76 165.345 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -106.6 -10.86 16.04 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 127.385 2.274 . . . . 0.0 108.604 164.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.1 mt -107.78 -48.51 3.39 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.486 1.914 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -100.99 -95.3 0.27 Allowed 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.537 1.535 . . . . 0.0 109.448 -174.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -160.65 -60.67 0.06 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.2 p -127.04 130.0 49.13 Favored 'General case' 0 C--N 1.361 1.072 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.269 3.9 t -153.57 147.2 25.13 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 124.502 1.121 . . . . 0.0 108.895 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -118.68 126.09 51.13 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 170.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.46 146.98 17.25 Favored Glycine 0 C--N 1.357 1.739 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 45.8 p90 -138.48 166.23 24.81 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -109.73 125.31 52.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.855 1.662 . . . . 0.0 108.248 -172.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -103.03 -7.8 21.1 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.528 1.931 . . . . 0.0 109.675 173.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.289 72.5 m80 80.86 15.64 0.62 Allowed 'General case' 0 C--N 1.367 1.349 0 C-N-CA 129.889 3.276 . . . . 0.0 113.521 176.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -113.31 -10.5 13.3 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.942 2.497 . . . . 0.0 108.416 169.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.36 -165.75 31.45 Favored Glycine 0 C--N 1.359 1.832 0 N-CA-C 105.674 -2.971 . . . . 0.0 105.674 -176.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 79.5 m -104.79 154.28 20.22 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 126.036 1.734 . . . . 0.0 107.845 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.3 mm -113.32 110.39 32.02 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 C-N-CA 126.35 1.86 . . . . 0.0 106.322 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.4 m -105.2 109.49 21.49 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 124.974 1.309 . . . . 0.0 108.87 -176.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -116.93 18.1 14.81 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 124.792 1.237 . . . . 0.0 111.339 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.258 1.545 0 C-N-CA 127.747 2.419 . . . . 0.0 113.072 175.237 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.532 0.682 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -151.82 -10.37 0.2 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 124.528 1.131 . . . . 0.0 108.116 174.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 p -112.22 -98.19 0.42 Allowed 'General case' 0 C--N 1.366 1.295 0 C-N-CA 125.413 1.485 . . . . 0.0 110.055 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 t -179.4 -44.31 0.01 OUTLIER 'General case' 0 C--N 1.357 0.898 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 -168.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -73.18 -12.15 60.78 Favored 'General case' 0 C--N 1.371 1.518 0 C-N-CA 129.711 3.204 . . . . 0.0 114.597 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -94.88 14.72 20.63 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 126.992 2.117 . . . . 0.0 111.132 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.1 m -129.02 10.51 5.9 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.092 1.757 . . . . 0.0 108.916 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -91.86 -26.16 18.62 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 125.513 1.525 . . . . 0.0 111.866 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 p -126.35 44.84 2.78 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.57 1.548 . . . . 0.0 107.928 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.78 -40.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 126.799 2.04 . . . . 0.0 108.511 -176.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.8 m -102.22 1.01 35.42 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.391 1.876 . . . . 0.0 111.491 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -95.83 -13.74 23.79 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 125.932 1.693 . . . . 0.0 109.293 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -98.04 -31.95 11.88 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 128.969 2.907 . . . . 0.0 109.876 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -117.44 -57.54 2.13 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 125.128 1.371 . . . . 0.0 110.792 -170.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -102.01 -5.35 24.71 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -159.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.4 t30 78.82 21.84 0.69 Allowed 'General case' 0 C--N 1.369 1.452 0 C-N-CA 127.639 2.376 . . . . 0.0 114.072 170.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 p -116.81 -157.32 0.65 Allowed 'General case' 0 C--N 1.357 0.917 0 C-N-CA 128.038 2.535 . . . . 0.0 105.458 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.3 m -115.36 -110.12 0.36 Allowed 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.707 1.203 . . . . 0.0 110.752 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -77.88 -169.81 1.67 Allowed 'General case' 0 C--N 1.359 1.017 0 C-N-CA 128.512 2.725 . . . . 0.0 115.129 -165.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.85 -177.79 43.31 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 26.8 p90 -150.92 173.85 13.8 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 165.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.8 t -109.6 129.83 55.55 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.261 1.425 . . . . 0.0 107.287 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -99.94 -89.57 0.33 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.635 1.574 . . . . 0.0 108.562 177.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -151.96 -45.94 0.11 Allowed 'General case' 0 C--N 1.358 0.944 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 2.2 mpt_? -74.22 -34.49 63.7 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 128.623 2.769 . . . . 0.0 113.536 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.95 -150.7 15.26 Favored Glycine 0 CA--C 1.487 -1.658 0 N-CA-C 106.404 -2.678 . . . . 0.0 106.404 -176.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.3 m -89.36 159.41 17.36 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.756 2.022 . . . . 0.0 111.286 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.9 mm -113.16 145.76 18.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 C-N-CA 128.964 2.906 . . . . 0.0 103.656 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.4 m -113.58 124.19 51.76 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 125.257 1.423 . . . . 0.0 107.193 175.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -119.04 151.99 37.25 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 169.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.26 1.644 0 C-N-CA 125.373 1.469 . . . . 0.0 108.438 178.514 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.662 0.744 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -143.5 -34.2 0.41 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 106.282 -1.748 . . . . 0.0 106.282 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.5 p -131.14 174.51 9.96 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 125.93 1.692 . . . . 0.0 106.564 -178.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -71.35 -25.51 62.42 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 129.524 3.13 . . . . 0.0 113.069 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -86.18 2.89 45.2 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.746 2.418 . . . . 0.0 113.407 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -104.05 3.47 33.32 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.151 2.18 . . . . 0.0 109.023 172.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.6 m -124.97 20.07 8.36 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 126.819 2.048 . . . . 0.0 108.252 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -109.99 129.36 55.68 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 105.615 -1.994 . . . . 0.0 105.615 169.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t 78.59 49.98 0.03 OUTLIER 'General case' 0 C--N 1.365 1.28 0 C-N-CA 127.956 2.502 . . . . 0.0 110.995 -173.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -122.66 -55.56 2.83 Favored 'Isoleucine or valine' 0 C--N 1.364 1.226 0 C-N-CA 125.631 1.572 . . . . 0.0 107.711 -173.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.2 m -115.56 -0.01 13.18 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 127.976 2.51 . . . . 0.0 108.209 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.464 ' HG3' ' H ' ' A' ' 18' ' ' SER . 43.5 tt0 -98.47 -19.21 17.8 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.801 2.44 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -80.14 -39.15 30.01 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 129.878 3.271 . . . . 0.0 112.239 167.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.5 mt -95.15 -53.92 3.62 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 125.748 1.619 . . . . 0.0 112.175 -170.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -99.62 -3.12 33.88 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 125.668 1.587 . . . . 0.0 111.298 -174.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.319 71.9 m-20 91.31 -28.43 0.04 OUTLIER 'General case' 0 C--N 1.365 1.272 0 C-N-CA 128.692 2.797 . . . . 0.0 115.055 163.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.7 p -131.12 128.04 39.32 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 174.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.464 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.276 6.2 t -163.33 141.55 7.94 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 125.004 1.322 . . . . 0.0 111.394 172.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -117.19 123.12 45.89 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 163.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.36 154.77 20.5 Favored Glycine 0 CA--C 1.488 -1.611 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.6 p90 -142.68 169.54 17.38 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 t -108.43 125.04 51.32 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.016 1.726 . . . . 0.0 107.354 -173.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -98.85 -88.63 0.32 Allowed 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.603 1.561 . . . . 0.0 108.992 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -146.79 -50.1 0.2 Allowed 'General case' 0 C--N 1.359 0.98 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -172.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -87.02 -27.11 23.4 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.358 2.263 . . . . 0.0 112.72 -172.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.1 -154.19 21.06 Favored Glycine 0 C--N 1.356 1.68 0 N-CA-C 107.438 -2.265 . . . . 0.0 107.438 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 99.7 m -91.01 160.58 15.54 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 126.701 2.0 . . . . 0.0 111.171 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.1 mm -113.12 142.05 26.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 103.299 -2.852 . . . . 0.0 103.299 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -128.8 119.45 24.54 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -118.05 -154.65 0.57 Allowed 'General case' 0 C--N 1.362 1.135 0 C-N-CA 126.478 1.911 . . . . 0.0 106.815 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 C--O 1.26 1.624 0 C-N-CA 125.799 1.639 . . . . 0.0 107.811 171.138 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 121.662 0.744 . . . . 0.0 111.826 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -144.36 -31.5 0.44 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.9 p -126.66 167.25 15.95 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 125.957 1.703 . . . . 0.0 106.946 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -71.86 -27.41 62.85 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 128.887 2.875 . . . . 0.0 112.828 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -87.01 5.45 37.36 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 128.062 2.545 . . . . 0.0 113.104 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -99.51 -14.11 19.2 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 127.624 2.37 . . . . 0.0 108.882 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -104.18 13.21 32.76 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.57 1.948 . . . . 0.0 110.838 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -96.06 -23.21 16.9 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.576 1.951 . . . . 0.0 109.862 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 p -129.0 60.94 1.53 Allowed 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.907 1.683 . . . . 0.0 106.674 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -132.51 -50.61 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.269 0 C-N-CA 124.707 1.203 . . . . 0.0 108.069 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.2 m -108.88 1.2 20.67 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.454 2.302 . . . . 0.0 109.773 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -94.33 -29.39 15.06 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.772 2.029 . . . . 0.0 108.474 170.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -82.76 -28.97 30.01 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 129.697 3.199 . . . . 0.0 111.812 176.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.7 tp -101.69 -53.55 2.94 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 125.897 1.679 . . . . 0.0 110.562 -175.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -105.76 -114.6 0.25 Allowed 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.074 1.35 . . . . 0.0 109.756 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -165.88 43.43 0.07 Allowed 'General case' 0 C--N 1.365 1.239 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -168.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.6 p -120.46 -163.63 1.03 Allowed 'General case' 0 C--N 1.36 1.041 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -174.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.7 m -122.28 -107.35 0.35 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.545 1.138 . . . . 0.0 109.533 -170.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mmtp -85.13 -174.7 5.39 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.479 2.712 . . . . 0.0 113.385 -166.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.04 176.18 46.64 Favored Glycine 0 CA--C 1.49 -1.499 0 N-CA-C 108.081 -2.008 . . . . 0.0 108.081 -175.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -146.65 166.27 27.06 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 170.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -104.82 117.2 33.46 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.377 1.471 . . . . 0.0 108.868 -173.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -107.09 179.17 4.34 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 126.948 2.099 . . . . 0.0 105.999 171.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -91.75 21.23 4.92 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.91 1.684 . . . . 0.0 113.173 -176.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -109.46 -27.66 9.33 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 128.374 2.67 . . . . 0.0 109.067 172.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.52 -151.71 23.88 Favored Glycine 0 C--N 1.36 1.875 0 N-CA-C 105.65 -2.98 . . . . 0.0 105.65 -172.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.5 m -87.89 144.93 26.3 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.613 1.565 . . . . 0.0 111.056 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 mm -93.55 138.44 20.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 128.801 2.84 . . . . 0.0 105.497 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.8 m -126.07 114.05 17.89 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 -176.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -112.68 148.01 35.58 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.194 1.798 . . . . 0.0 107.424 176.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.259 1.59 0 C-N-CA 125.661 1.585 . . . . 0.0 108.591 179.446 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 121.469 0.652 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -148.76 -43.67 0.15 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 170.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.7 m -121.08 -80.85 0.63 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 125.353 1.461 . . . . 0.0 109.016 -168.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.5 m -173.63 -39.4 0.01 OUTLIER 'General case' 0 C--N 1.36 1.032 0 C-N-CA 126.03 1.732 . . . . 0.0 107.811 -158.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -83.08 8.8 11.91 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 127.268 2.227 . . . . 0.0 114.313 -171.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -108.69 1.87 21.49 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 128.223 2.609 . . . . 0.0 107.859 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -116.17 20.64 14.22 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 127.334 2.254 . . . . 0.0 107.906 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -110.01 127.94 55.11 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 172.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t 76.88 46.73 0.08 Allowed 'General case' 0 C--N 1.363 1.189 0 C-N-CA 127.857 2.463 . . . . 0.0 111.803 -171.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.4 p -123.05 -50.91 2.65 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 C-N-CA 125.424 1.49 . . . . 0.0 107.692 -174.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.2 m -112.76 0.77 15.38 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 127.411 2.285 . . . . 0.0 108.936 176.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -95.81 -22.13 17.68 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 127.306 2.242 . . . . 0.0 109.044 177.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 -31.29 21.24 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 128.272 2.629 . . . . 0.0 110.746 175.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -104.26 -63.45 1.2 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 125.476 1.51 . . . . 0.0 111.628 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -101.73 -0.93 33.59 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.118 1.367 . . . . 0.0 114.529 -161.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 t30 84.08 29.47 0.07 Allowed 'General case' 0 C--N 1.368 1.393 0 C-N-CA 127.417 2.287 . . . . 0.0 113.971 167.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.2 p -109.74 -160.69 0.73 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 125.456 1.502 . . . . 0.0 107.804 -171.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.0 m -112.61 -109.13 0.36 Allowed 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.854 1.262 . . . . 0.0 110.934 -170.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -93.52 -174.03 3.37 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 127.016 2.127 . . . . 0.0 112.704 -165.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.48 167.18 39.35 Favored Glycine 0 CA--C 1.489 -1.548 0 N-CA-C 107.806 -2.117 . . . . 0.0 107.806 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -139.21 174.49 10.46 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 166.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.5 t -121.07 130.02 53.58 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -97.86 -89.24 0.29 Allowed 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.022 1.729 . . . . 0.0 109.335 -177.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -145.58 -49.6 0.23 Allowed 'General case' 0 C--N 1.358 0.961 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -172.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -85.88 -27.16 25.19 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.293 2.237 . . . . 0.0 113.023 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.64 -156.37 25.83 Favored Glycine 0 C--N 1.357 1.738 0 N-CA-C 107.719 -2.152 . . . . 0.0 107.719 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.1 m -88.93 154.32 20.33 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.644 1.978 . . . . 0.0 111.826 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.9 mm -112.13 140.53 31.32 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.4 m -126.27 112.94 16.31 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 124.835 1.254 . . . . 0.0 107.617 -175.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -108.68 152.51 24.72 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.154 1.782 . . . . 0.0 108.538 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.26 1.648 0 C-N-CA 126.077 1.751 . . . . 0.0 110.267 178.154 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 121.251 0.548 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -147.39 -26.18 0.38 Allowed 'General case' 0 C--N 1.36 1.065 0 C-N-CA 123.795 0.838 . . . . 0.0 109.011 -175.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 p -126.18 -86.16 0.61 Allowed 'General case' 0 C--N 1.363 1.193 0 C-N-CA 124.038 0.935 . . . . 0.0 108.865 -175.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.3 m -166.02 -42.23 0.03 OUTLIER 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.86 1.664 . . . . 0.0 107.072 -170.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -87.8 23.89 1.9 Allowed 'General case' 0 C--N 1.37 1.473 0 C-N-CA 126.598 1.959 . . . . 0.0 114.56 -169.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -113.7 1.73 14.98 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 126.91 2.084 . . . . 0.0 107.274 170.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.2 m -117.79 9.59 13.02 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 127.088 2.155 . . . . 0.0 108.841 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -99.57 129.03 45.7 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.352 81.0 p 64.25 44.51 4.34 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 129.136 2.974 . . . . 0.0 114.88 -174.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.1 p -112.23 -40.98 3.87 Favored 'Isoleucine or valine' 0 C--N 1.363 1.183 0 C-N-CA 126.92 2.088 . . . . 0.0 108.425 -169.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.4 m -107.48 10.55 29.36 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.717 2.007 . . . . 0.0 110.081 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -95.37 -30.22 14.03 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 126.513 1.925 . . . . 0.0 107.977 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -72.28 -28.8 63.34 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 131.162 3.785 . . . . 0.0 112.747 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mp -101.03 -60.58 1.5 Allowed 'General case' 0 C--N 1.366 1.288 0 C-N-CA 126.723 2.009 . . . . 0.0 108.844 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -108.04 -114.74 0.28 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.705 1.602 . . . . 0.0 109.451 -171.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -162.75 43.3 0.12 Allowed 'General case' 0 C--N 1.365 1.267 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.401 HG21 ' HG ' ' A' ' 31' ' ' SER . 27.7 p -133.75 127.02 31.9 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 -174.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.0 m -77.89 -90.71 0.04 OUTLIER 'General case' 0 C--N 1.357 0.893 0 C-N-CA 127.887 2.475 . . . . 0.0 116.252 -162.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -83.45 154.56 23.88 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 129.249 3.02 . . . . 0.0 112.027 -164.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.67 178.19 28.26 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -177.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.5 p90 -144.56 171.86 13.78 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 168.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 t -107.75 126.68 52.91 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 125.475 1.51 . . . . 0.0 107.923 -174.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -101.02 -8.78 22.04 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 126.165 1.786 . . . . 0.0 109.771 173.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.294 70.7 m80 80.3 6.85 1.59 Allowed 'General case' 0 C--N 1.368 1.376 0 C-N-CA 129.37 3.068 . . . . 0.0 114.417 172.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -104.6 -23.66 13.08 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 128.286 2.635 . . . . 0.0 107.858 169.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.13 -162.29 31.12 Favored Glycine 0 C--N 1.356 1.693 0 N-CA-C 105.135 -3.186 . . . . 0.0 105.135 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.6 m -101.88 163.51 12.21 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 126.046 1.738 . . . . 0.0 109.42 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.9 mm -112.98 143.48 22.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 103.521 -2.77 . . . . 0.0 103.521 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -131.65 115.86 16.61 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -120.31 149.94 41.5 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.401 ' HG ' HG21 ' A' ' 17' ' ' THR . 48.3 m . . . . . 0 C--O 1.259 1.599 0 C-N-CA 125.158 1.383 . . . . 0.0 111.788 -175.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.644 0.735 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -145.54 -29.67 0.43 Allowed 'General case' 0 C--N 1.358 0.939 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.0 p -123.75 161.27 25.52 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 125.71 1.604 . . . . 0.0 107.725 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.6 p -70.79 -31.05 67.7 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 129.279 3.032 . . . . 0.0 113.291 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -90.54 15.11 11.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.836 2.454 . . . . 0.0 113.58 -177.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -113.26 2.39 15.54 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.251 2.221 . . . . 0.0 107.982 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.2 m -117.34 11.62 14.04 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.572 1.949 . . . . 0.0 109.037 175.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -92.65 -23.76 18.88 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 126.419 1.887 . . . . 0.0 111.418 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 p -132.07 57.13 1.79 Allowed 'General case' 0 C--N 1.357 0.933 0 C-N-CA 125.585 1.554 . . . . 0.0 107.198 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.09 -47.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.364 1.221 0 C-N-CA 124.954 1.301 . . . . 0.0 108.932 -174.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.0 m -107.6 -0.73 21.8 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.034 2.133 . . . . 0.0 111.108 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 17.42 21.45 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.87 1.668 . . . . 0.0 108.97 168.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -107.79 -4.08 18.43 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 128.222 2.609 . . . . 0.0 107.79 163.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.5 mt -117.75 -51.71 2.47 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.148 2.179 . . . . 0.0 108.37 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -98.7 -99.19 0.22 Allowed 'General case' 0 C--N 1.366 1.309 0 C-N-CA 126.242 1.817 . . . . 0.0 109.966 -174.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -155.91 -59.41 0.1 Allowed 'General case' 0 C--N 1.366 1.286 0 CA-C-N 119.381 0.992 . . . . 0.0 110.87 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -135.84 127.25 28.53 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 -177.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.3 m -150.25 152.53 34.7 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.85 1.26 . . . . 0.0 110.057 -173.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.15 176.51 7.0 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 168.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.7 175.17 47.2 Favored Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -150.51 169.4 21.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 N-CA-C 104.612 -2.366 . . . . 0.0 104.612 169.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.5 t -105.02 121.77 44.47 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.288 1.435 . . . . 0.0 108.571 -175.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -109.45 178.1 4.54 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 169.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.54 9.59 17.95 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.141 1.777 . . . . 0.0 113.589 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -98.35 -44.04 6.69 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 128.371 2.668 . . . . 0.0 109.097 176.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.8 -152.62 22.35 Favored Glycine 0 C--N 1.353 1.475 0 N-CA-C 105.331 -3.108 . . . . 0.0 105.331 -174.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 m -85.28 142.73 29.17 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 125.806 1.642 . . . . 0.0 110.853 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 mm -91.39 134.64 29.26 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 C-N-CA 128.319 2.648 . . . . 0.0 106.379 168.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.3 m -119.81 124.92 47.31 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 177.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -107.27 37.8 2.29 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 127.709 2.404 . . . . 0.0 109.236 177.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.7 p . . . . . 0 C--O 1.259 1.563 0 C-N-CA 128.921 2.888 . . . . 0.0 113.861 176.365 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 121.386 0.612 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.8 t -150.96 -18.14 0.21 Allowed 'General case' 0 C--N 1.359 0.989 0 C-N-CA 124.137 0.975 . . . . 0.0 108.393 -177.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.1 p -107.28 132.92 52.57 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.848 1.659 . . . . 0.0 107.36 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.8 m -62.47 -20.91 65.04 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 129.26 3.024 . . . . 0.0 117.263 -167.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -91.14 22.43 3.77 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 126.899 2.079 . . . . 0.0 112.619 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -116.84 11.63 14.52 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 126.739 2.015 . . . . 0.0 108.514 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.8 m -141.9 29.21 1.7 Allowed 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.664 1.585 . . . . 0.0 108.405 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -101.76 130.05 48.08 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 172.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 m 70.48 47.26 0.51 Allowed 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.477 2.311 . . . . 0.0 112.051 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.0 p -113.9 -46.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.366 1.309 0 C-N-CA 126.342 1.857 . . . . 0.0 109.079 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.0 m -118.7 -2.29 10.97 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 127.161 2.184 . . . . 0.0 108.982 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.93 16.31 21.31 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 126.091 1.756 . . . . 0.0 109.353 170.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.05 -24.14 13.64 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 127.449 2.3 . . . . 0.0 108.45 160.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mp -96.51 -49.16 5.26 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.473 2.309 . . . . 0.0 109.666 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -99.6 -98.87 0.23 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 125.653 1.581 . . . . 0.0 109.366 -175.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -158.61 -58.26 0.07 Allowed 'General case' 0 C--N 1.363 1.17 0 CA-C-N 119.024 0.829 . . . . 0.0 110.919 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 p -130.19 128.32 41.47 Favored 'General case' 0 C--N 1.363 1.194 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.2 m -149.8 144.6 26.11 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 125.627 1.571 . . . . 0.0 108.099 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -120.34 110.53 16.65 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 103.65 -2.722 . . . . 0.0 103.65 172.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.3 145.31 18.68 Favored Glycine 0 C--N 1.356 1.641 0 C-N-CA 124.298 0.951 . . . . 0.0 111.341 -171.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -137.84 174.99 9.98 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 170.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.1 m -110.53 141.64 43.41 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.355 1.862 . . . . 0.0 107.088 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -101.92 -85.89 0.43 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 125.979 1.712 . . . . 0.0 106.802 170.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -152.4 -46.95 0.1 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -82.12 -21.95 36.43 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 128.116 2.566 . . . . 0.0 114.496 -171.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.78 -151.98 19.2 Favored Glycine 0 C--N 1.356 1.676 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 97.8 m -94.66 160.12 14.77 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 126.659 1.984 . . . . 0.0 111.739 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.6 mm -117.89 122.01 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 102.421 -3.177 . . . . 0.0 102.421 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.6 m -114.2 112.76 23.67 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 124.523 1.129 . . . . 0.0 108.056 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -111.41 -157.67 0.62 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 126.048 1.739 . . . . 0.0 107.957 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.261 1.688 0 C-N-CA 125.783 1.633 . . . . 0.0 108.457 174.53 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 121.595 0.712 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -143.54 -34.65 0.4 Allowed 'General case' 0 C--N 1.358 0.941 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -128.51 170.88 12.65 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 125.785 1.634 . . . . 0.0 106.74 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.6 p -72.27 -25.62 61.67 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 128.673 2.789 . . . . 0.0 112.902 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -86.54 0.22 54.77 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.463 2.705 . . . . 0.0 112.714 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -98.75 -8.06 26.64 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 127.731 2.412 . . . . 0.0 108.959 174.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.8 m -114.35 22.07 14.07 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 126.932 2.093 . . . . 0.0 109.275 176.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -107.35 132.86 52.68 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 169.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.538 ' H ' HE21 ' A' ' 12' ' ' GLN . 67.6 m 73.05 55.28 0.12 Allowed 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.421 2.288 . . . . 0.0 110.834 -177.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.08 -54.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.266 0 C-N-CA 125.556 1.542 . . . . 0.0 107.426 -169.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.6 m -113.55 2.99 15.52 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 127.182 2.193 . . . . 0.0 109.722 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.538 HE21 ' H ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -108.89 14.22 24.32 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.095 1.758 . . . . 0.0 108.171 168.267 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -110.57 -2.83 16.25 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.975 2.11 . . . . 0.0 109.16 159.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.4 mt -110.45 -45.2 3.57 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.298 1.839 . . . . 0.0 108.692 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -105.26 -109.67 0.28 Allowed 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.166 1.786 . . . . 0.0 107.967 -177.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -147.05 -62.35 0.29 Allowed 'General case' 0 C--N 1.363 1.182 0 CA-C-N 119.285 0.948 . . . . 0.0 109.241 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 p -127.24 127.63 44.73 Favored 'General case' 0 C--N 1.361 1.104 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.263 70.4 m -145.52 136.69 24.83 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 125.287 1.435 . . . . 0.0 108.987 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.623 ' HA ' ' HZ3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -112.03 120.18 40.99 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 176.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.38 154.44 21.05 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -171.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.9 p90 -146.35 172.47 13.45 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 105.118 -2.178 . . . . 0.0 105.118 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -110.36 129.51 55.74 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 126.001 1.721 . . . . 0.0 107.281 -174.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -103.01 -90.07 0.37 Allowed 'General case' 0 C--N 1.364 1.197 0 C-N-CA 125.608 1.563 . . . . 0.0 108.354 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -151.14 -46.77 0.12 Allowed 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -171.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -80.62 -22.58 40.48 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.461 2.705 . . . . 0.0 114.064 -174.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.94 -154.97 26.01 Favored Glycine 0 C--N 1.357 1.722 0 N-CA-C 106.243 -2.743 . . . . 0.0 106.243 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.4 m -88.55 158.03 18.42 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.4 1.88 . . . . 0.0 111.161 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.1 mm -111.37 139.0 37.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 N-CA-C 103.277 -2.86 . . . . 0.0 103.277 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.8 m -130.4 117.08 19.16 Favored 'General case' 0 C--N 1.359 1.006 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -118.37 -154.43 0.56 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.253 1.821 . . . . 0.0 106.753 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.4 t . . . . . 0 C--O 1.259 1.585 0 C-N-CA 125.836 1.654 . . . . 0.0 107.278 172.67 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 121.368 0.604 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -108.73 -49.64 3.13 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.931 2.092 . . . . 0.0 107.992 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.0 p -122.64 178.57 4.94 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 126.239 1.816 . . . . 0.0 107.343 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.6 m -69.65 -27.04 64.7 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 129.169 2.988 . . . . 0.0 114.054 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -90.58 19.55 5.27 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 127.456 2.302 . . . . 0.0 112.81 -176.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -108.45 -6.8 16.0 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.008 2.123 . . . . 0.0 108.634 174.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.0 m -115.24 14.54 16.93 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.239 1.816 . . . . 0.0 110.035 -174.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.7 m0 -98.28 -22.67 16.0 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.39 1.876 . . . . 0.0 109.711 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 t -129.95 62.94 1.55 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -131.45 -50.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.246 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.9 m -109.22 3.55 21.89 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 127.006 2.123 . . . . 0.0 109.71 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -96.16 -30.33 13.57 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 126.966 2.106 . . . . 0.0 108.252 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -84.59 -28.03 26.83 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 128.844 2.857 . . . . 0.0 112.054 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.8 mt -101.99 -51.27 3.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.554 1.542 . . . . 0.0 110.137 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -106.96 -128.68 0.27 Allowed 'General case' 0 C--N 1.367 1.355 0 C-N-CA 124.873 1.269 . . . . 0.0 108.924 -175.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -151.84 36.74 0.56 Allowed 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.614 1.097 . . . . 0.0 108.593 -167.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.5 p -112.34 -163.98 0.89 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -175.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.9 t -123.73 -104.49 0.37 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.486 1.114 . . . . 0.0 109.496 -166.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' HG2' ' H ' ' A' ' 20' ' ' GLY . 62.4 tttt -87.26 179.35 6.64 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 128.872 2.869 . . . . 0.0 111.844 -165.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.408 ' H ' ' HG2' ' A' ' 19' ' ' LYS . . . -174.29 176.9 46.65 Favored Glycine 0 CA--C 1.49 -1.497 0 N-CA-C 108.474 -1.85 . . . . 0.0 108.474 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 36.3 p90 -146.48 170.38 16.98 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 168.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -107.09 123.03 47.64 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 125.243 1.417 . . . . 0.0 108.355 -174.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -107.45 175.6 5.44 Favored 'General case' 0 C--N 1.362 1.142 0 N-CA-C 104.994 -2.224 . . . . 0.0 104.994 168.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -90.12 24.74 2.38 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.728 1.611 . . . . 0.0 113.419 -171.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -116.57 -46.55 2.76 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 128.305 2.642 . . . . 0.0 107.715 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.2 -154.14 18.5 Favored Glycine 0 C--N 1.356 1.657 0 N-CA-C 105.75 -2.94 . . . . 0.0 105.75 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.3 m -87.88 145.88 25.84 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.806 1.643 . . . . 0.0 111.515 177.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.0 mm -94.09 135.25 29.02 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 C-N-CA 128.794 2.838 . . . . 0.0 105.711 166.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.8 m -123.57 114.85 20.59 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.198 1.399 . . . . 0.0 107.233 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -112.01 148.37 33.98 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.342 1.857 . . . . 0.0 107.634 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.26 1.609 0 C-N-CA 125.789 1.636 . . . . 0.0 110.616 -178.87 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.399 0.618 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 p -105.55 -63.1 1.28 Allowed 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.576 1.95 . . . . 0.0 106.348 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.0 p -139.18 -150.71 0.34 Allowed 'General case' 0 C--N 1.359 0.983 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.4 p -62.61 -27.2 69.04 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 130.296 3.439 . . . . 0.0 115.277 172.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -80.25 -4.89 55.02 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.048 2.139 . . . . 0.0 115.748 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -103.61 1.28 31.87 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.436 1.894 . . . . 0.0 109.623 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -107.9 10.67 28.46 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 126.532 1.933 . . . . 0.0 109.458 174.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -96.17 -21.77 17.7 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 127.396 2.278 . . . . 0.0 109.76 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 t -131.65 68.61 1.49 Allowed 'General case' 0 C--N 1.356 0.886 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -142.88 -52.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -174.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.2 m -107.51 5.25 26.96 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.36 2.264 . . . . 0.0 109.592 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -93.65 -29.81 15.25 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 127.617 2.367 . . . . 0.0 108.448 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -97.42 -4.09 38.91 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 128.217 2.607 . . . . 0.0 111.789 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tt -115.36 -55.65 2.43 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.497 1.519 . . . . 0.0 107.426 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -106.88 -124.95 0.24 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.726 1.61 . . . . 0.0 108.25 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -154.17 37.96 0.44 Allowed 'General case' 0 C--N 1.365 1.27 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.8 p -112.18 -165.15 0.97 Allowed 'General case' 0 C--N 1.361 1.093 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -173.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -125.88 -105.36 0.34 Allowed 'General case' 0 C--N 1.354 0.8 0 C-N-CA 124.347 1.059 . . . . 0.0 108.938 -165.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HG2' ' H ' ' A' ' 20' ' ' GLY . 52.6 tttt -85.12 -178.32 6.76 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.729 2.812 . . . . 0.0 112.525 -164.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.48 ' H ' ' HG2' ' A' ' 19' ' ' LYS . . . -178.27 178.27 48.55 Favored Glycine 0 CA--C 1.491 -1.464 0 N-CA-C 108.286 -1.926 . . . . 0.0 108.286 -175.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.6 p90 -150.23 160.73 43.47 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 104.639 -2.356 . . . . 0.0 104.639 169.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.9 t -106.71 121.85 45.18 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.826 0.851 . . . . 0.0 109.515 -174.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -105.91 177.98 4.7 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.103 2.161 . . . . 0.0 105.712 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -89.82 17.45 6.65 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 125.655 1.582 . . . . 0.0 113.345 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.31 -16.39 12.01 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.905 2.482 . . . . 0.0 109.957 174.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.48 -161.5 27.97 Favored Glycine 0 C--N 1.364 2.089 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.9 m -90.31 135.62 33.56 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.102 1.761 . . . . 0.0 110.423 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.4 mm -84.95 138.22 19.46 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 C-N-CA 128.618 2.767 . . . . 0.0 107.102 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.3 m -126.21 113.61 17.22 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -112.3 148.57 33.92 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.379 1.872 . . . . 0.0 107.503 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.26 1.63 0 C-N-CA 125.64 1.576 . . . . 0.0 110.72 -178.413 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.398 0.618 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 t -157.54 31.98 0.27 Allowed 'General case' 0 C--N 1.358 0.966 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.2 p -111.47 -116.97 0.31 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.299 1.839 . . . . 0.0 107.171 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.1 m -160.91 -48.77 0.05 OUTLIER 'General case' 0 C--N 1.356 0.861 0 N-CA-C 104.437 -2.431 . . . . 0.0 104.437 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -91.85 47.26 1.33 Allowed 'General case' 0 C--N 1.37 1.475 0 C-N-CA 127.701 2.4 . . . . 0.0 111.138 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -129.93 17.66 5.64 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 163.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -147.73 24.97 1.07 Allowed 'General case' 0 C--N 1.365 1.255 0 C-N-CA 126.532 1.933 . . . . 0.0 108.057 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -95.7 130.42 42.6 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 120.524 -1.36 . . . . 0.0 108.512 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m 70.0 51.66 0.41 Allowed 'General case' 0 C--N 1.368 1.398 0 C-N-CA 128.039 2.536 . . . . 0.0 112.177 -176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.02 -59.17 3.38 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 C-N-CA 126.256 1.822 . . . . 0.0 109.087 -170.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.7 m -110.35 -0.84 17.46 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 127.834 2.454 . . . . 0.0 109.127 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -90.16 -28.94 18.59 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 127.755 2.422 . . . . 0.0 109.429 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -89.04 -25.74 21.79 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 128.462 2.705 . . . . 0.0 111.652 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -110.27 -60.09 1.85 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 125.369 1.467 . . . . 0.0 111.089 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -101.16 -2.82 30.39 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.083 1.353 . . . . 0.0 113.681 -167.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 m120 79.14 31.1 0.3 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 127.743 2.417 . . . . 0.0 114.826 169.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 31' ' ' SER . 75.2 p -110.8 -160.91 0.73 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.107 1.763 . . . . 0.0 107.102 -172.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.5 m -108.85 -112.55 0.3 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.344 1.058 . . . . 0.0 110.846 -172.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -77.83 138.5 38.98 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 126.542 1.937 . . . . 0.0 114.889 -164.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.97 129.82 6.68 Favored Glycine 0 C--N 1.356 1.655 0 N-CA-C 106.411 -2.676 . . . . 0.0 106.411 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -135.86 166.66 22.79 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.1 m -100.28 142.68 31.42 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.817 1.647 . . . . 0.0 108.377 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -107.72 -83.69 0.54 Allowed 'General case' 0 C--N 1.359 1.019 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 169.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -149.19 -48.62 0.14 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 2.3 mpt_? -80.83 -36.96 30.86 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 128.636 2.774 . . . . 0.0 113.512 -169.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.57 -151.34 9.12 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.464 -2.254 . . . . 0.0 107.464 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.2 m -94.92 156.16 16.45 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.711 2.004 . . . . 0.0 110.493 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.4 mm -117.52 105.3 17.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.046 0 N-CA-C 104.605 -2.368 . . . . 0.0 104.605 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 62.1 m -104.17 100.72 10.46 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 125.633 1.573 . . . . 0.0 109.337 -170.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -115.98 153.75 31.06 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 125.528 1.531 . . . . 0.0 108.532 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.405 ' HA ' ' HB ' ' A' ' 17' ' ' THR . 44.9 m . . . . . 0 C--O 1.26 1.611 0 C-N-CA 126.241 1.816 . . . . 0.0 110.891 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.442 0.639 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 p -104.42 -51.93 3.01 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.935 2.094 . . . . 0.0 109.103 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.9 p -128.11 178.19 6.39 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.862 1.665 . . . . 0.0 107.368 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.1 t -70.07 -33.29 71.73 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.781 3.232 . . . . 0.0 111.477 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.29 17.72 7.98 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.951 2.501 . . . . 0.0 112.52 -177.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -97.95 -25.66 14.91 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.712 2.405 . . . . 0.0 107.427 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -100.58 9.78 42.05 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 127.224 2.21 . . . . 0.0 111.66 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -93.0 -17.63 23.68 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.462 1.905 . . . . 0.0 110.832 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 p -136.47 61.23 1.64 Allowed 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.443 1.497 . . . . 0.0 107.191 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -128.47 -48.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.254 0 C-N-CA 124.48 1.112 . . . . 0.0 109.082 -174.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -106.82 3.46 26.45 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 126.16 1.784 . . . . 0.0 110.772 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.11 8.38 15.65 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.048 1.339 . . . . 0.0 109.409 171.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -100.69 -30.96 11.45 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 128.525 2.73 . . . . 0.0 108.12 168.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp -101.76 -59.57 1.68 Allowed 'General case' 0 C--N 1.367 1.33 0 C-N-CA 127.041 2.136 . . . . 0.0 109.466 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -98.55 -91.36 0.27 Allowed 'General case' 0 C--N 1.367 1.338 0 C-N-CA 124.976 1.31 . . . . 0.0 111.914 -168.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -149.48 -59.59 0.21 Allowed 'General case' 0 C--N 1.365 1.268 0 CA-C-N 118.923 0.783 . . . . 0.0 112.16 -173.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.5 p -133.16 138.64 46.68 Favored 'General case' 0 C--N 1.366 1.293 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -171.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 t -150.09 121.18 7.73 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.973 1.309 . . . . 0.0 109.8 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.64 84.17 2.07 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 103.508 -2.775 . . . . 0.0 103.508 165.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.51 -177.11 26.13 Favored Glycine 0 C--N 1.357 1.716 0 C-N-CA 125.289 1.423 . . . . 0.0 113.558 -168.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 36.6 p90 -150.38 168.76 23.18 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 169.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -111.11 121.5 45.49 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 126.562 1.945 . . . . 0.0 106.129 -175.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.94 -90.0 0.34 Allowed 'General case' 0 C--N 1.365 1.243 0 C-N-CA 125.031 1.332 . . . . 0.0 109.446 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -142.8 -47.99 0.33 Allowed 'General case' 0 C--N 1.358 0.963 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -170.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -86.24 -31.02 21.9 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.229 2.212 . . . . 0.0 112.405 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.01 -154.39 23.27 Favored Glycine 0 CA--C 1.487 -1.681 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.5 m -85.66 157.99 20.19 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 126.756 2.022 . . . . 0.0 111.411 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.4 mm -114.85 141.6 30.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.6 m -127.78 114.51 17.35 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 -178.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -116.74 -165.79 1.1 Allowed 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.814 1.646 . . . . 0.0 106.911 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.261 1.665 0 C-N-CA 124.857 1.263 . . . . 0.0 108.951 176.037 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.63 0.728 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 p -114.66 -54.37 2.58 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.55 1.94 . . . . 0.0 105.794 165.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -139.19 -164.32 1.64 Allowed 'General case' 0 C--N 1.362 1.113 0 N-CA-C 106.182 -1.785 . . . . 0.0 106.182 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.0 p -64.6 -28.37 69.58 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 130.883 3.673 . . . . 0.0 114.214 169.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -86.35 2.21 48.29 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 128.056 2.543 . . . . 0.0 113.488 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -104.77 -6.76 20.02 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 126.903 2.081 . . . . 0.0 109.127 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 70.4 m -102.25 10.95 38.89 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 126.54 1.936 . . . . 0.0 110.126 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -96.4 -22.05 17.39 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.454 2.301 . . . . 0.0 109.187 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 p -128.66 65.76 1.42 Allowed 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.498 1.919 . . . . 0.0 106.364 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 p -140.62 -53.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.248 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m -106.03 6.13 30.92 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.245 2.218 . . . . 0.0 109.779 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -95.8 -32.44 12.69 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 127.095 2.158 . . . . 0.0 108.399 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -90.85 -12.0 37.59 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 128.181 2.592 . . . . 0.0 112.16 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 98.6 mt -110.97 -54.17 2.63 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 125.547 1.539 . . . . 0.0 108.981 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -105.44 -118.61 0.23 Allowed 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.008 1.323 . . . . 0.0 109.465 -173.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -163.98 42.45 0.1 Allowed 'General case' 0 C--N 1.363 1.177 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -169.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.9 p -121.44 -171.15 2.16 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.6 m -118.39 -105.83 0.39 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 124.878 1.271 . . . . 0.0 109.744 -168.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 mmtm -83.09 -174.94 5.58 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.588 2.755 . . . . 0.0 113.587 -166.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 177.68 177.13 46.26 Favored Glycine 0 CA--C 1.49 -1.51 0 N-CA-C 107.846 -2.102 . . . . 0.0 107.846 -173.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 31.5 p90 -148.77 164.21 35.07 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 168.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.2 t -110.43 122.52 47.92 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.371 0.668 . . . . 0.0 109.319 -174.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -106.0 -179.7 4.02 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.248 2.219 . . . . 0.0 105.697 169.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -86.76 14.63 6.8 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 126.112 1.765 . . . . 0.0 113.735 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -100.27 -46.76 5.17 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 128.499 2.72 . . . . 0.0 108.673 175.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.4 -152.1 20.38 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 105.821 -2.912 . . . . 0.0 105.821 -175.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.2 m -89.52 141.89 28.17 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.837 1.655 . . . . 0.0 110.905 174.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -89.27 138.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.152 0 C-N-CA 128.616 2.766 . . . . 0.0 106.345 165.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.8 m -125.2 115.91 21.17 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -113.84 148.92 35.81 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.446 1.898 . . . . 0.0 107.255 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.26 1.611 0 C-N-CA 125.649 1.58 . . . . 0.0 110.687 -179.022 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.74 0.781 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -144.83 -30.08 0.45 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.8 p -124.3 166.12 16.47 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 126.078 1.751 . . . . 0.0 107.001 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.6 m -72.39 -27.62 62.48 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 128.951 2.9 . . . . 0.0 112.8 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -88.17 10.6 18.84 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 128.304 2.642 . . . . 0.0 113.111 -176.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -98.37 -23.3 15.66 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 127.717 2.407 . . . . 0.0 107.834 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.3 m -99.27 10.79 40.73 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.245 2.218 . . . . 0.0 111.536 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -93.31 -18.5 22.38 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.68 1.992 . . . . 0.0 110.541 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -133.27 74.43 1.56 Allowed 'General case' 0 C--N 1.357 0.9 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 175.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.7 p -139.06 -50.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.399 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.8 m -104.3 4.71 33.95 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 126.321 1.848 . . . . 0.0 110.912 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.13 6.44 15.12 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.089 1.356 . . . . 0.0 109.422 170.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -100.83 -28.55 12.73 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.072 2.549 . . . . 0.0 107.758 168.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mp -99.54 -62.37 1.25 Allowed 'General case' 0 C--N 1.368 1.381 0 C-N-CA 127.214 2.205 . . . . 0.0 109.554 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -97.69 -91.7 0.25 Allowed 'General case' 0 C--N 1.366 1.305 0 C-N-CA 125.063 1.345 . . . . 0.0 112.058 -167.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -148.27 -60.2 0.25 Allowed 'General case' 0 C--N 1.365 1.279 0 CA-C-N 119.085 0.857 . . . . 0.0 112.19 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -135.12 136.18 41.73 Favored 'General case' 0 C--N 1.365 1.256 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -146.21 126.22 13.69 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 125.254 1.422 . . . . 0.0 109.588 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -139.32 91.03 2.47 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 164.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.09 -175.14 22.77 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 124.992 1.282 . . . . 0.0 113.029 -169.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -150.51 167.29 27.63 Favored 'General case' 0 N--CA 1.433 -1.294 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 169.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.4 t -109.35 121.85 46.09 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 126.065 1.746 . . . . 0.0 106.387 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -99.52 -87.52 0.36 Allowed 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.021 1.328 . . . . 0.0 109.684 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -141.88 -49.36 0.38 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -91.62 -27.65 18.0 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.243 2.217 . . . . 0.0 112.155 -170.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.57 -154.53 23.17 Favored Glycine 0 C--N 1.357 1.705 0 N-CA-C 107.569 -2.212 . . . . 0.0 107.569 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.8 m -87.05 158.69 19.16 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 126.94 2.096 . . . . 0.0 111.365 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 mm -114.92 144.21 22.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 N-CA-C 102.785 -3.043 . . . . 0.0 102.785 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 96.2 m -129.66 116.87 19.47 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -114.04 150.75 33.5 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 125.427 1.491 . . . . 0.0 107.635 176.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.26 1.616 0 C-N-CA 124.91 1.284 . . . . 0.0 109.18 179.848 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 121.2 0.524 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.4 p -114.91 -38.95 3.78 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.252 1.821 . . . . 0.0 110.08 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.7 p -123.07 -78.36 0.6 Allowed 'General case' 0 C--N 1.364 1.223 0 C-N-CA 124.419 1.088 . . . . 0.0 110.592 -168.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -177.38 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.357 0.908 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 -162.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -73.77 -11.68 60.46 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 128.892 2.877 . . . . 0.0 114.998 -172.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -94.88 0.08 54.47 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 126.902 2.081 . . . . 0.0 110.182 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.9 m -114.46 15.92 17.8 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.193 2.197 . . . . 0.0 108.56 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -107.24 134.24 50.62 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 169.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m 73.76 46.19 0.21 Allowed 'General case' 0 C--N 1.363 1.193 0 C-N-CA 126.779 2.032 . . . . 0.0 111.933 -176.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.5 -49.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.363 1.19 0 C-N-CA 126.122 1.769 . . . . 0.0 108.273 -171.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.1 m -116.12 2.75 13.43 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 128.134 2.574 . . . . 0.0 108.784 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.501 ' HG3' ' H ' ' A' ' 18' ' ' SER . 6.0 tt0 -103.51 -36.04 8.11 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.579 2.352 . . . . 0.0 107.987 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -80.69 -20.29 43.24 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 129.019 2.927 . . . . 0.0 112.526 170.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.4 tp -94.82 -51.04 4.87 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 126.212 1.805 . . . . 0.0 110.492 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -100.1 -90.55 0.31 Allowed 'General case' 0 C--N 1.367 1.347 0 C-N-CA 125.325 1.45 . . . . 0.0 108.83 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.53 -53.22 0.04 OUTLIER 'General case' 0 C--N 1.363 1.174 0 CA-C-N 119.053 0.842 . . . . 0.0 112.258 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 p -121.68 127.54 50.88 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.501 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.252 5.6 t -164.33 136.55 4.75 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 124.965 1.306 . . . . 0.0 112.577 174.158 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -118.39 159.31 23.67 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 103.951 -2.611 . . . . 0.0 103.951 160.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.97 167.11 33.2 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 -173.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -140.58 172.66 12.4 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 169.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.6 t -110.38 127.75 55.23 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.853 1.661 . . . . 0.0 107.639 -173.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -101.89 -9.93 20.29 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.196 1.798 . . . . 0.0 109.816 173.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.287 72.8 m80 79.97 8.44 1.54 Allowed 'General case' 0 C--N 1.367 1.36 0 C-N-CA 129.519 3.127 . . . . 0.0 114.112 175.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -104.87 -23.09 13.06 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 128.529 2.732 . . . . 0.0 107.856 171.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.23 -160.92 31.71 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 104.827 -3.309 . . . . 0.0 104.827 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.9 m -104.52 162.91 12.85 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.9 1.68 . . . . 0.0 108.854 175.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.1 mm -114.88 138.78 43.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.0 m -124.83 121.11 33.64 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 124.807 1.243 . . . . 0.0 108.469 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -102.66 -176.51 3.12 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 127.763 2.425 . . . . 0.0 107.528 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--O 1.26 1.625 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 173.08 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.699 0.762 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.41 ' H ' ' H ' ' A' ' 3' ' ' THR . 14.9 t -145.36 -29.64 0.43 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 176.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.41 ' H ' ' H ' ' A' ' 2' ' ' THR . 17.4 p -127.4 167.14 16.63 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 125.61 1.564 . . . . 0.0 107.452 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 t -70.63 -31.5 68.47 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 129.869 3.268 . . . . 0.0 112.372 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -91.55 12.39 21.04 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 127.289 2.235 . . . . 0.0 112.896 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -111.61 8.44 20.88 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.302 2.241 . . . . 0.0 107.59 170.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.8 m -124.22 18.15 9.1 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 127.157 2.183 . . . . 0.0 107.78 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.7 m0 -106.28 131.8 53.08 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 169.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.361 46.3 p 73.28 44.88 0.3 Allowed 'General case' 0 C--N 1.362 1.139 0 C-N-CA 128.473 2.709 . . . . 0.0 112.527 -174.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.69 -48.42 4.96 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 126.279 1.832 . . . . 0.0 108.397 -171.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.3 m -116.96 0.28 12.39 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.339 2.256 . . . . 0.0 108.683 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -97.55 -21.38 17.12 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.502 1.921 . . . . 0.0 108.329 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -80.88 -39.21 26.74 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 129.083 2.953 . . . . 0.0 111.454 172.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.6 mt -97.85 -48.14 5.3 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.662 1.585 . . . . 0.0 111.408 -172.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -108.06 -112.23 0.3 Allowed 'General case' 0 C--N 1.364 1.218 0 C-N-CA 125.177 1.391 . . . . 0.0 109.722 -175.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -167.12 48.67 0.06 Allowed 'General case' 0 C--N 1.365 1.243 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -166.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 p -111.12 -152.44 0.5 Allowed 'General case' 0 C--N 1.361 1.089 0 O-C-N 120.912 -1.118 . . . . 0.0 109.944 -169.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.4 t -147.04 -91.44 0.09 Allowed 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -88.58 148.06 24.28 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 127.895 2.478 . . . . 0.0 112.137 -167.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.42 156.07 26.49 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.733 -2.147 . . . . 0.0 107.733 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -144.14 172.47 12.85 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 172.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -110.97 126.62 54.96 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 126.117 1.767 . . . . 0.0 106.969 -174.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -101.28 -89.18 0.36 Allowed 'General case' 0 C--N 1.364 1.239 0 C-N-CA 125.745 1.618 . . . . 0.0 108.602 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -153.75 -48.14 0.09 Allowed 'General case' 0 C--N 1.357 0.912 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 -171.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -78.52 -23.71 46.14 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 128.57 2.748 . . . . 0.0 114.137 -175.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.5 -153.53 24.44 Favored Glycine 0 C--N 1.357 1.734 0 N-CA-C 106.622 -2.591 . . . . 0.0 106.622 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.3 m -91.39 160.07 15.66 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 126.65 1.98 . . . . 0.0 110.802 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -115.1 139.98 38.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 C-N-CA 128.557 2.743 . . . . 0.0 103.845 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.5 m -130.49 117.4 19.56 Favored 'General case' 0 C--N 1.361 1.074 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -107.22 21.52 17.39 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 125.906 1.683 . . . . 0.0 113.895 -167.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.6 m . . . . . 0 C--O 1.26 1.628 0 C-N-CA 127.337 2.255 . . . . 0.0 114.616 172.596 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 121.633 0.73 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -142.49 -39.87 0.35 Allowed 'General case' 0 C--N 1.356 0.891 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 162.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -140.68 -168.35 2.56 Favored 'General case' 0 C--N 1.363 1.186 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.6 t -58.6 -35.25 72.15 Favored 'General case' 0 C--N 1.365 1.257 1 C-N-CA 132.081 4.152 . . . . 0.0 115.56 178.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -89.75 14.26 12.28 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 126.664 1.985 . . . . 0.0 114.986 -168.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -109.43 5.54 23.47 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.175 2.19 . . . . 0.0 107.687 173.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.7 m -120.15 9.37 11.11 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.376 1.871 . . . . 0.0 109.031 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -91.71 -25.72 18.96 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.435 1.894 . . . . 0.0 111.075 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 t -131.74 60.27 1.68 Allowed 'General case' 0 C--N 1.359 1.021 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.9 p -124.98 -46.32 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.239 0 C-N-CA 125.022 1.329 . . . . 0.0 109.184 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.1 m -115.61 -0.81 12.89 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.41 2.284 . . . . 0.0 109.09 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.622 ' HG3' ' H ' ' A' ' 18' ' ' SER . 4.5 tt0 -97.88 -31.28 12.28 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 128.166 2.586 . . . . 0.0 108.594 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 tmt_? -78.32 -28.62 47.39 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 129.327 3.051 . . . . 0.0 112.312 170.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.67 -49.3 6.36 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.56 1.944 . . . . 0.0 111.106 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -99.13 -93.34 0.26 Allowed 'General case' 0 C--N 1.365 1.241 0 C-N-CA 125.153 1.381 . . . . 0.0 108.845 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -159.94 -57.42 0.06 Allowed 'General case' 0 C--N 1.365 1.25 0 CA-C-N 119.863 1.21 . . . . 0.0 111.113 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.2 p -123.04 122.0 37.43 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.622 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.27 69.0 m -153.78 144.45 22.53 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 125.951 1.701 . . . . 0.0 111.926 173.881 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -135.57 134.13 39.06 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 102.761 -3.051 . . . . 0.0 102.761 173.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.72 -179.44 16.98 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-O 122.026 0.792 . . . . 0.0 111.183 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.7 p90 -150.09 167.1 27.76 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 104.325 -2.472 . . . . 0.0 104.325 168.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.4 t -116.29 124.4 50.06 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 106.887 -1.524 . . . . 0.0 106.887 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -98.73 -88.34 0.33 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.787 1.635 . . . . 0.0 109.726 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -140.33 -48.31 0.44 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -170.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -87.53 -29.74 21.1 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 127.196 2.199 . . . . 0.0 112.623 -171.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.98 -153.89 23.46 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 107.353 -2.299 . . . . 0.0 107.353 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.2 m -85.86 153.51 22.18 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 126.796 2.038 . . . . 0.0 111.85 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -113.21 136.11 50.6 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 N-CA-C 103.016 -2.957 . . . . 0.0 103.016 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.7 m -124.24 116.43 22.67 Favored 'General case' 0 C--N 1.359 1.006 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -111.28 -154.35 0.54 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.217 1.807 . . . . 0.0 107.081 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--O 1.261 1.691 0 C-N-CA 125.414 1.485 . . . . 0.0 108.245 172.654 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.407 0.623 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -141.35 -33.2 0.52 Allowed 'General case' 0 C--N 1.359 1.013 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 p -133.62 173.61 11.32 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.1 p -73.75 -24.75 59.92 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.269 2.628 . . . . 0.0 112.54 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -84.72 -9.26 58.39 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 128.651 2.78 . . . . 0.0 112.067 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -91.76 -7.16 50.44 Favored 'General case' 0 C--N 1.368 1.376 0 C-N-CA 127.525 2.33 . . . . 0.0 110.036 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.1 m -113.16 25.44 11.36 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 127.009 2.124 . . . . 0.0 109.575 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -108.77 130.69 55.38 Favored 'General case' 0 C--N 1.361 1.073 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 170.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.44 ' H ' HE21 ' A' ' 12' ' ' GLN . 5.5 t 80.8 49.58 0.02 OUTLIER 'General case' 0 C--N 1.366 1.295 0 C-N-CA 128.753 2.821 . . . . 0.0 109.569 -172.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.08 -59.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.364 1.223 0 C-N-CA 125.86 1.664 . . . . 0.0 108.713 -171.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.0 m -117.93 7.93 12.45 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 127.313 2.245 . . . . 0.0 108.833 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.44 HE21 ' H ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -110.04 10.45 24.11 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 126.567 1.947 . . . . 0.0 107.76 165.345 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -106.6 -10.86 16.04 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 127.385 2.274 . . . . 0.0 108.604 164.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.1 mt -107.78 -48.51 3.39 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.486 1.914 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -100.99 -95.3 0.27 Allowed 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.537 1.535 . . . . 0.0 109.448 -174.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -160.65 -60.67 0.06 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.2 p -127.04 130.0 49.13 Favored 'General case' 0 C--N 1.361 1.072 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.269 3.9 t -153.57 147.2 25.13 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 124.502 1.121 . . . . 0.0 108.895 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -118.68 126.09 51.13 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 170.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.46 146.98 17.25 Favored Glycine 0 C--N 1.357 1.739 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 45.8 p90 -138.48 166.23 24.81 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -109.73 125.31 52.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.855 1.662 . . . . 0.0 108.248 -172.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -103.03 -7.8 21.1 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.528 1.931 . . . . 0.0 109.675 173.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.289 72.5 m80 80.86 15.64 0.62 Allowed 'General case' 0 C--N 1.367 1.349 0 C-N-CA 129.889 3.276 . . . . 0.0 113.521 176.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -113.31 -10.5 13.3 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.942 2.497 . . . . 0.0 108.416 169.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.36 -165.75 31.45 Favored Glycine 0 C--N 1.359 1.832 0 N-CA-C 105.674 -2.971 . . . . 0.0 105.674 -176.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 79.5 m -104.79 154.28 20.22 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 126.036 1.734 . . . . 0.0 107.845 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.3 mm -113.32 110.39 32.02 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 C-N-CA 126.35 1.86 . . . . 0.0 106.322 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.4 m -105.2 109.49 21.49 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 124.974 1.309 . . . . 0.0 108.87 -176.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -116.93 18.1 14.81 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 124.792 1.237 . . . . 0.0 111.339 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.258 1.545 0 C-N-CA 127.747 2.419 . . . . 0.0 113.072 175.237 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.532 0.682 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -151.82 -10.37 0.2 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 124.528 1.131 . . . . 0.0 108.116 174.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 p -112.22 -98.19 0.42 Allowed 'General case' 0 C--N 1.366 1.295 0 C-N-CA 125.413 1.485 . . . . 0.0 110.055 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 t -179.4 -44.31 0.01 OUTLIER 'General case' 0 C--N 1.357 0.898 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 -168.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -73.18 -12.15 60.78 Favored 'General case' 0 C--N 1.371 1.518 0 C-N-CA 129.711 3.204 . . . . 0.0 114.597 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -94.88 14.72 20.63 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 126.992 2.117 . . . . 0.0 111.132 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.1 m -129.02 10.51 5.9 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.092 1.757 . . . . 0.0 108.916 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -91.86 -26.16 18.62 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 125.513 1.525 . . . . 0.0 111.866 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 p -126.35 44.84 2.78 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.57 1.548 . . . . 0.0 107.928 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.78 -40.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 126.799 2.04 . . . . 0.0 108.511 -176.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.8 m -102.22 1.01 35.42 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.391 1.876 . . . . 0.0 111.491 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -95.83 -13.74 23.79 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 125.932 1.693 . . . . 0.0 109.293 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -98.04 -31.95 11.88 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 128.969 2.907 . . . . 0.0 109.876 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -117.44 -57.54 2.13 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 125.128 1.371 . . . . 0.0 110.792 -170.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -102.01 -5.35 24.71 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -159.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.4 t30 78.82 21.84 0.69 Allowed 'General case' 0 C--N 1.369 1.452 0 C-N-CA 127.639 2.376 . . . . 0.0 114.072 170.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 p -116.81 -157.32 0.65 Allowed 'General case' 0 C--N 1.357 0.917 0 C-N-CA 128.038 2.535 . . . . 0.0 105.458 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.3 m -115.36 -110.12 0.36 Allowed 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.707 1.203 . . . . 0.0 110.752 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -77.88 -169.81 1.67 Allowed 'General case' 0 C--N 1.359 1.017 0 C-N-CA 128.512 2.725 . . . . 0.0 115.129 -165.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.85 -177.79 43.31 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 26.8 p90 -150.92 173.85 13.8 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 165.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.8 t -109.6 129.83 55.55 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.261 1.425 . . . . 0.0 107.287 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -99.94 -89.57 0.33 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.635 1.574 . . . . 0.0 108.562 177.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -151.96 -45.94 0.11 Allowed 'General case' 0 C--N 1.358 0.944 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -74.22 -34.49 63.7 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 128.623 2.769 . . . . 0.0 113.536 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.95 -150.7 15.26 Favored Glycine 0 CA--C 1.487 -1.658 0 N-CA-C 106.404 -2.678 . . . . 0.0 106.404 -176.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.3 m -89.36 159.41 17.36 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.756 2.022 . . . . 0.0 111.286 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.9 mm -113.16 145.76 18.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 C-N-CA 128.964 2.906 . . . . 0.0 103.656 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.4 m -113.58 124.19 51.76 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 125.257 1.423 . . . . 0.0 107.193 175.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -119.04 151.99 37.25 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 169.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.26 1.644 0 C-N-CA 125.373 1.469 . . . . 0.0 108.438 178.514 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.662 0.744 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -143.5 -34.2 0.41 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 106.282 -1.748 . . . . 0.0 106.282 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.5 p -131.14 174.51 9.96 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 125.93 1.692 . . . . 0.0 106.564 -178.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -71.35 -25.51 62.42 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 129.524 3.13 . . . . 0.0 113.069 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -86.18 2.89 45.2 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.746 2.418 . . . . 0.0 113.407 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -104.05 3.47 33.32 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.151 2.18 . . . . 0.0 109.023 172.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.6 m -124.97 20.07 8.36 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 126.819 2.048 . . . . 0.0 108.252 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -109.99 129.36 55.68 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 105.615 -1.994 . . . . 0.0 105.615 169.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t 78.59 49.98 0.03 OUTLIER 'General case' 0 C--N 1.365 1.28 0 C-N-CA 127.956 2.502 . . . . 0.0 110.995 -173.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -122.66 -55.56 2.83 Favored 'Isoleucine or valine' 0 C--N 1.364 1.226 0 C-N-CA 125.631 1.572 . . . . 0.0 107.711 -173.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.2 m -115.56 -0.01 13.18 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 127.976 2.51 . . . . 0.0 108.209 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.491 ' HG3' ' H ' ' A' ' 18' ' ' SER . 43.5 tt0 -98.47 -19.21 17.8 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.801 2.44 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -80.14 -39.15 30.01 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 129.878 3.271 . . . . 0.0 112.239 167.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.5 mt -95.15 -53.92 3.62 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 125.748 1.619 . . . . 0.0 112.175 -170.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -99.62 -3.12 33.88 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 125.668 1.587 . . . . 0.0 111.298 -174.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.319 71.9 m-20 91.31 -28.43 0.04 OUTLIER 'General case' 0 C--N 1.365 1.272 0 C-N-CA 128.692 2.797 . . . . 0.0 115.055 163.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.7 p -131.12 128.04 39.32 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 174.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.491 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.276 6.2 t -163.33 141.55 7.94 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 125.004 1.322 . . . . 0.0 111.394 172.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -117.19 123.12 45.89 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 163.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.36 154.77 20.5 Favored Glycine 0 CA--C 1.488 -1.611 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.6 p90 -142.68 169.54 17.38 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 t -108.43 125.04 51.32 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.016 1.726 . . . . 0.0 107.354 -173.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -98.85 -88.63 0.32 Allowed 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.603 1.561 . . . . 0.0 108.992 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -146.79 -50.1 0.2 Allowed 'General case' 0 C--N 1.359 0.98 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -172.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -87.02 -27.11 23.4 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.358 2.263 . . . . 0.0 112.72 -172.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.1 -154.19 21.06 Favored Glycine 0 C--N 1.356 1.68 0 N-CA-C 107.438 -2.265 . . . . 0.0 107.438 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 99.7 m -91.01 160.58 15.54 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 126.701 2.0 . . . . 0.0 111.171 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.1 mm -113.12 142.05 26.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 103.299 -2.852 . . . . 0.0 103.299 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -128.8 119.45 24.54 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -118.05 -154.65 0.57 Allowed 'General case' 0 C--N 1.362 1.135 0 C-N-CA 126.478 1.911 . . . . 0.0 106.815 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 C--O 1.26 1.624 0 C-N-CA 125.799 1.639 . . . . 0.0 107.811 171.138 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 121.662 0.744 . . . . 0.0 111.826 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -144.36 -31.5 0.44 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.9 p -126.66 167.25 15.95 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 125.957 1.703 . . . . 0.0 106.946 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -71.86 -27.41 62.85 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 128.887 2.875 . . . . 0.0 112.828 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -87.01 5.45 37.36 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 128.062 2.545 . . . . 0.0 113.104 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -99.51 -14.11 19.2 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 127.624 2.37 . . . . 0.0 108.882 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -104.18 13.21 32.76 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.57 1.948 . . . . 0.0 110.838 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -96.06 -23.21 16.9 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.576 1.951 . . . . 0.0 109.862 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 p -129.0 60.94 1.53 Allowed 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.907 1.683 . . . . 0.0 106.674 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -132.51 -50.61 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.269 0 C-N-CA 124.707 1.203 . . . . 0.0 108.069 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.2 m -108.88 1.2 20.67 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.454 2.302 . . . . 0.0 109.773 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -94.33 -29.39 15.06 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.772 2.029 . . . . 0.0 108.474 170.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -82.76 -28.97 30.01 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 129.697 3.199 . . . . 0.0 111.812 176.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.7 tp -101.69 -53.55 2.94 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 125.897 1.679 . . . . 0.0 110.562 -175.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -105.76 -114.6 0.25 Allowed 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.074 1.35 . . . . 0.0 109.756 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -165.88 43.43 0.07 Allowed 'General case' 0 C--N 1.365 1.239 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -168.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.6 p -120.46 -163.63 1.03 Allowed 'General case' 0 C--N 1.36 1.041 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -174.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.7 m -122.28 -107.35 0.35 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.545 1.138 . . . . 0.0 109.533 -170.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mmtp -85.13 -174.7 5.39 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.479 2.712 . . . . 0.0 113.385 -166.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.04 176.18 46.64 Favored Glycine 0 CA--C 1.49 -1.499 0 N-CA-C 108.081 -2.008 . . . . 0.0 108.081 -175.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -146.65 166.27 27.06 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 170.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -104.82 117.2 33.46 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.377 1.471 . . . . 0.0 108.868 -173.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -107.09 179.17 4.34 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 126.948 2.099 . . . . 0.0 105.999 171.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -91.75 21.23 4.92 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.91 1.684 . . . . 0.0 113.173 -176.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -109.46 -27.66 9.33 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 128.374 2.67 . . . . 0.0 109.067 172.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.52 -151.71 23.88 Favored Glycine 0 C--N 1.36 1.875 0 N-CA-C 105.65 -2.98 . . . . 0.0 105.65 -172.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.5 m -87.89 144.93 26.3 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.613 1.565 . . . . 0.0 111.056 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 mm -93.55 138.44 20.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 128.801 2.84 . . . . 0.0 105.497 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.8 m -126.07 114.05 17.89 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 -176.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -112.68 148.01 35.58 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.194 1.798 . . . . 0.0 107.424 176.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.259 1.59 0 C-N-CA 125.661 1.585 . . . . 0.0 108.591 179.446 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 121.469 0.652 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -148.76 -43.67 0.15 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 170.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.7 m -121.08 -80.85 0.63 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 125.353 1.461 . . . . 0.0 109.016 -168.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.5 m -173.63 -39.4 0.01 OUTLIER 'General case' 0 C--N 1.36 1.032 0 C-N-CA 126.03 1.732 . . . . 0.0 107.811 -158.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -83.08 8.8 11.91 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 127.268 2.227 . . . . 0.0 114.313 -171.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -108.69 1.87 21.49 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 128.223 2.609 . . . . 0.0 107.859 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -116.17 20.64 14.22 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 127.334 2.254 . . . . 0.0 107.906 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -110.01 127.94 55.11 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 172.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t 76.88 46.73 0.08 Allowed 'General case' 0 C--N 1.363 1.189 0 C-N-CA 127.857 2.463 . . . . 0.0 111.803 -171.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.4 p -123.05 -50.91 2.65 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 C-N-CA 125.424 1.49 . . . . 0.0 107.692 -174.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.2 m -112.76 0.77 15.38 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 127.411 2.285 . . . . 0.0 108.936 176.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -95.81 -22.13 17.68 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 127.306 2.242 . . . . 0.0 109.044 177.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 -31.29 21.24 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 128.272 2.629 . . . . 0.0 110.746 175.07 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -104.26 -63.45 1.2 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 125.476 1.51 . . . . 0.0 111.628 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -101.73 -0.93 33.59 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.118 1.367 . . . . 0.0 114.529 -161.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 t30 84.08 29.47 0.07 Allowed 'General case' 0 C--N 1.368 1.393 0 C-N-CA 127.417 2.287 . . . . 0.0 113.971 167.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.411 ' HB ' ' HA ' ' A' ' 31' ' ' SER . 73.2 p -109.74 -160.69 0.73 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 125.456 1.502 . . . . 0.0 107.804 -171.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.0 m -112.61 -109.13 0.36 Allowed 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.854 1.262 . . . . 0.0 110.934 -170.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -93.52 -174.03 3.37 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 127.016 2.127 . . . . 0.0 112.704 -165.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.48 167.18 39.35 Favored Glycine 0 CA--C 1.489 -1.548 0 N-CA-C 107.806 -2.117 . . . . 0.0 107.806 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -139.21 174.49 10.46 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 166.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.5 t -121.07 130.02 53.58 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -97.86 -89.24 0.29 Allowed 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.022 1.729 . . . . 0.0 109.335 -177.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -145.58 -49.6 0.23 Allowed 'General case' 0 C--N 1.358 0.961 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -172.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -85.88 -27.16 25.19 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.293 2.237 . . . . 0.0 113.023 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.64 -156.37 25.83 Favored Glycine 0 C--N 1.357 1.738 0 N-CA-C 107.719 -2.152 . . . . 0.0 107.719 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.1 m -88.93 154.32 20.33 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.644 1.978 . . . . 0.0 111.826 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.9 mm -112.13 140.53 31.32 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.4 m -126.27 112.94 16.31 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 124.835 1.254 . . . . 0.0 107.617 -175.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -108.68 152.51 24.72 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.154 1.782 . . . . 0.0 108.538 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.411 ' HA ' ' HB ' ' A' ' 17' ' ' THR . 49.5 m . . . . . 0 C--O 1.26 1.648 0 C-N-CA 126.077 1.751 . . . . 0.0 110.267 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 121.251 0.548 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -147.39 -26.18 0.38 Allowed 'General case' 0 C--N 1.36 1.065 0 C-N-CA 123.795 0.838 . . . . 0.0 109.011 -175.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 p -126.18 -86.16 0.61 Allowed 'General case' 0 C--N 1.363 1.193 0 C-N-CA 124.038 0.935 . . . . 0.0 108.865 -175.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.3 m -166.02 -42.23 0.03 OUTLIER 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.86 1.664 . . . . 0.0 107.072 -170.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -87.8 23.89 1.9 Allowed 'General case' 0 C--N 1.37 1.473 0 C-N-CA 126.598 1.959 . . . . 0.0 114.56 -169.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -113.7 1.73 14.98 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 126.91 2.084 . . . . 0.0 107.274 170.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.2 m -117.79 9.59 13.02 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 127.088 2.155 . . . . 0.0 108.841 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -99.57 129.03 45.7 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.352 81.0 p 64.25 44.51 4.34 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 129.136 2.974 . . . . 0.0 114.88 -174.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.1 p -112.23 -40.98 3.87 Favored 'Isoleucine or valine' 0 C--N 1.363 1.183 0 C-N-CA 126.92 2.088 . . . . 0.0 108.425 -169.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.4 m -107.48 10.55 29.36 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.717 2.007 . . . . 0.0 110.081 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -95.37 -30.22 14.03 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 126.513 1.925 . . . . 0.0 107.977 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -72.28 -28.8 63.34 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 131.162 3.785 . . . . 0.0 112.747 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mp -101.03 -60.58 1.5 Allowed 'General case' 0 C--N 1.366 1.288 0 C-N-CA 126.723 2.009 . . . . 0.0 108.844 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -108.04 -114.74 0.28 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.705 1.602 . . . . 0.0 109.451 -171.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -162.75 43.3 0.12 Allowed 'General case' 0 C--N 1.365 1.267 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.7 p -133.75 127.02 31.9 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 -174.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.0 m -77.89 -90.71 0.04 OUTLIER 'General case' 0 C--N 1.357 0.893 0 C-N-CA 127.887 2.475 . . . . 0.0 116.252 -162.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -83.45 154.56 23.88 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 129.249 3.02 . . . . 0.0 112.027 -164.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.67 178.19 28.26 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -177.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.5 p90 -144.56 171.86 13.78 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 168.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 t -107.75 126.68 52.91 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 125.475 1.51 . . . . 0.0 107.923 -174.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -101.02 -8.78 22.04 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 126.165 1.786 . . . . 0.0 109.771 173.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.294 70.7 m80 80.3 6.85 1.59 Allowed 'General case' 0 C--N 1.368 1.376 0 C-N-CA 129.37 3.068 . . . . 0.0 114.417 172.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -104.6 -23.66 13.08 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 128.286 2.635 . . . . 0.0 107.858 169.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.13 -162.29 31.12 Favored Glycine 0 C--N 1.356 1.693 0 N-CA-C 105.135 -3.186 . . . . 0.0 105.135 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.6 m -101.88 163.51 12.21 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 126.046 1.738 . . . . 0.0 109.42 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.9 mm -112.98 143.48 22.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 103.521 -2.77 . . . . 0.0 103.521 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -131.65 115.86 16.61 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -120.31 149.94 41.5 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.259 1.599 0 C-N-CA 125.158 1.383 . . . . 0.0 111.788 -175.531 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.644 0.735 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -145.54 -29.67 0.43 Allowed 'General case' 0 C--N 1.358 0.939 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.0 p -123.75 161.27 25.52 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 125.71 1.604 . . . . 0.0 107.725 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.6 p -70.79 -31.05 67.7 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 129.279 3.032 . . . . 0.0 113.291 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -90.54 15.11 11.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.836 2.454 . . . . 0.0 113.58 -177.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -113.26 2.39 15.54 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.251 2.221 . . . . 0.0 107.982 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.2 m -117.34 11.62 14.04 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.572 1.949 . . . . 0.0 109.037 175.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -92.65 -23.76 18.88 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 126.419 1.887 . . . . 0.0 111.418 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 p -132.07 57.13 1.79 Allowed 'General case' 0 C--N 1.357 0.933 0 C-N-CA 125.585 1.554 . . . . 0.0 107.198 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.09 -47.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.364 1.221 0 C-N-CA 124.954 1.301 . . . . 0.0 108.932 -174.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.0 m -107.6 -0.73 21.8 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.034 2.133 . . . . 0.0 111.108 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 17.42 21.45 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.87 1.668 . . . . 0.0 108.97 168.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -107.79 -4.08 18.43 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 128.222 2.609 . . . . 0.0 107.79 163.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.5 mt -117.75 -51.71 2.47 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.148 2.179 . . . . 0.0 108.37 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -98.7 -99.19 0.22 Allowed 'General case' 0 C--N 1.366 1.309 0 C-N-CA 126.242 1.817 . . . . 0.0 109.966 -174.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -155.91 -59.41 0.1 Allowed 'General case' 0 C--N 1.366 1.286 0 CA-C-N 119.381 0.992 . . . . 0.0 110.87 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -135.84 127.25 28.53 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 -177.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.3 m -150.25 152.53 34.7 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.85 1.26 . . . . 0.0 110.057 -173.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.15 176.51 7.0 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 168.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.7 175.17 47.2 Favored Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -150.51 169.4 21.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 N-CA-C 104.612 -2.366 . . . . 0.0 104.612 169.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.5 t -105.02 121.77 44.47 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.288 1.435 . . . . 0.0 108.571 -175.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -109.45 178.1 4.54 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 169.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.54 9.59 17.95 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.141 1.777 . . . . 0.0 113.589 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -98.35 -44.04 6.69 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 128.371 2.668 . . . . 0.0 109.097 176.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.8 -152.62 22.35 Favored Glycine 0 C--N 1.353 1.475 0 N-CA-C 105.331 -3.108 . . . . 0.0 105.331 -174.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 m -85.28 142.73 29.17 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 125.806 1.642 . . . . 0.0 110.853 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 mm -91.39 134.64 29.26 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 C-N-CA 128.319 2.648 . . . . 0.0 106.379 168.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.3 m -119.81 124.92 47.31 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 177.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -107.27 37.8 2.29 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 127.709 2.404 . . . . 0.0 109.236 177.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.7 p . . . . . 0 C--O 1.259 1.563 0 C-N-CA 128.921 2.888 . . . . 0.0 113.861 176.365 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 121.386 0.612 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.408 ' H ' ' H ' ' A' ' 3' ' ' THR . 10.8 t -150.96 -18.14 0.21 Allowed 'General case' 0 C--N 1.359 0.989 0 C-N-CA 124.137 0.975 . . . . 0.0 108.393 -177.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.408 ' H ' ' H ' ' A' ' 2' ' ' THR . 21.1 p -107.28 132.92 52.57 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.848 1.659 . . . . 0.0 107.36 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.8 m -62.47 -20.91 65.04 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 129.26 3.024 . . . . 0.0 117.263 -167.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -91.14 22.43 3.77 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 126.899 2.079 . . . . 0.0 112.619 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -116.84 11.63 14.52 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 126.739 2.015 . . . . 0.0 108.514 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.8 m -141.9 29.21 1.7 Allowed 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.664 1.585 . . . . 0.0 108.405 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -101.76 130.05 48.08 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 172.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 m 70.48 47.26 0.51 Allowed 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.477 2.311 . . . . 0.0 112.051 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.0 p -113.9 -46.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.366 1.309 0 C-N-CA 126.342 1.857 . . . . 0.0 109.079 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.0 m -118.7 -2.29 10.97 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 127.161 2.184 . . . . 0.0 108.982 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.93 16.31 21.31 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 126.091 1.756 . . . . 0.0 109.353 170.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.05 -24.14 13.64 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 127.449 2.3 . . . . 0.0 108.45 160.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mp -96.51 -49.16 5.26 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.473 2.309 . . . . 0.0 109.666 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -99.6 -98.87 0.23 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 125.653 1.581 . . . . 0.0 109.366 -175.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -158.61 -58.26 0.07 Allowed 'General case' 0 C--N 1.363 1.17 0 CA-C-N 119.024 0.829 . . . . 0.0 110.919 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 p -130.19 128.32 41.47 Favored 'General case' 0 C--N 1.363 1.194 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.2 m -149.8 144.6 26.11 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 125.627 1.571 . . . . 0.0 108.099 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -120.34 110.53 16.65 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 103.65 -2.722 . . . . 0.0 103.65 172.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.3 145.31 18.68 Favored Glycine 0 C--N 1.356 1.641 0 C-N-CA 124.298 0.951 . . . . 0.0 111.341 -171.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -137.84 174.99 9.98 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 170.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.1 m -110.53 141.64 43.41 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.355 1.862 . . . . 0.0 107.088 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -101.92 -85.89 0.43 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 125.979 1.712 . . . . 0.0 106.802 170.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -152.4 -46.95 0.1 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -82.12 -21.95 36.43 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 128.116 2.566 . . . . 0.0 114.496 -171.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.78 -151.98 19.2 Favored Glycine 0 C--N 1.356 1.676 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 97.8 m -94.66 160.12 14.77 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 126.659 1.984 . . . . 0.0 111.739 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.6 mm -117.89 122.01 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 102.421 -3.177 . . . . 0.0 102.421 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.6 m -114.2 112.76 23.67 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 124.523 1.129 . . . . 0.0 108.056 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -111.41 -157.67 0.62 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 126.048 1.739 . . . . 0.0 107.957 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.261 1.688 0 C-N-CA 125.783 1.633 . . . . 0.0 108.457 174.53 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 121.595 0.712 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -143.54 -34.65 0.4 Allowed 'General case' 0 C--N 1.358 0.941 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -128.51 170.88 12.65 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 125.785 1.634 . . . . 0.0 106.74 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.6 p -72.27 -25.62 61.67 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 128.673 2.789 . . . . 0.0 112.902 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -86.54 0.22 54.77 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.463 2.705 . . . . 0.0 112.714 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -98.75 -8.06 26.64 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 127.731 2.412 . . . . 0.0 108.959 174.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.8 m -114.35 22.07 14.07 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 126.932 2.093 . . . . 0.0 109.275 176.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -107.35 132.86 52.68 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 169.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m 73.05 55.28 0.12 Allowed 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.421 2.288 . . . . 0.0 110.834 -177.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.08 -54.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.266 0 C-N-CA 125.556 1.542 . . . . 0.0 107.426 -169.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.6 m -113.55 2.99 15.52 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 127.182 2.193 . . . . 0.0 109.722 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.89 14.22 24.32 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.095 1.758 . . . . 0.0 108.171 168.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -110.57 -2.83 16.25 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.975 2.11 . . . . 0.0 109.16 159.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.4 mt -110.45 -45.2 3.57 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.298 1.839 . . . . 0.0 108.692 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -105.26 -109.67 0.28 Allowed 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.166 1.786 . . . . 0.0 107.967 -177.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -147.05 -62.35 0.29 Allowed 'General case' 0 C--N 1.363 1.182 0 CA-C-N 119.285 0.948 . . . . 0.0 109.241 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 p -127.24 127.63 44.73 Favored 'General case' 0 C--N 1.361 1.104 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.263 70.4 m -145.52 136.69 24.83 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 125.287 1.435 . . . . 0.0 108.987 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.03 120.18 40.99 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 176.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.38 154.44 21.05 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -171.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.9 p90 -146.35 172.47 13.45 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 105.118 -2.178 . . . . 0.0 105.118 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -110.36 129.51 55.74 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 126.001 1.721 . . . . 0.0 107.281 -174.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -103.01 -90.07 0.37 Allowed 'General case' 0 C--N 1.364 1.197 0 C-N-CA 125.608 1.563 . . . . 0.0 108.354 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -151.14 -46.77 0.12 Allowed 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -171.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -80.62 -22.58 40.48 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.461 2.705 . . . . 0.0 114.064 -174.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.94 -154.97 26.01 Favored Glycine 0 C--N 1.357 1.722 0 N-CA-C 106.243 -2.743 . . . . 0.0 106.243 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.4 m -88.55 158.03 18.42 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.4 1.88 . . . . 0.0 111.161 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.1 mm -111.37 139.0 37.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 N-CA-C 103.277 -2.86 . . . . 0.0 103.277 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.8 m -130.4 117.08 19.16 Favored 'General case' 0 C--N 1.359 1.006 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -118.37 -154.43 0.56 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.253 1.821 . . . . 0.0 106.753 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.4 t . . . . . 0 C--O 1.259 1.585 0 C-N-CA 125.836 1.654 . . . . 0.0 107.278 172.67 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 121.368 0.604 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -108.73 -49.64 3.13 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.931 2.092 . . . . 0.0 107.992 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.0 p -122.64 178.57 4.94 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 126.239 1.816 . . . . 0.0 107.343 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.6 m -69.65 -27.04 64.7 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 129.169 2.988 . . . . 0.0 114.054 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -90.58 19.55 5.27 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 127.456 2.302 . . . . 0.0 112.81 -176.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -108.45 -6.8 16.0 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.008 2.123 . . . . 0.0 108.634 174.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.0 m -115.24 14.54 16.93 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.239 1.816 . . . . 0.0 110.035 -174.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.7 m0 -98.28 -22.67 16.0 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.39 1.876 . . . . 0.0 109.711 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 t -129.95 62.94 1.55 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -131.45 -50.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.246 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.9 m -109.22 3.55 21.89 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 127.006 2.123 . . . . 0.0 109.71 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -96.16 -30.33 13.57 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 126.966 2.106 . . . . 0.0 108.252 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -84.59 -28.03 26.83 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 128.844 2.857 . . . . 0.0 112.054 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.8 mt -101.99 -51.27 3.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.554 1.542 . . . . 0.0 110.137 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -106.96 -128.68 0.27 Allowed 'General case' 0 C--N 1.367 1.355 0 C-N-CA 124.873 1.269 . . . . 0.0 108.924 -175.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -151.84 36.74 0.56 Allowed 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.614 1.097 . . . . 0.0 108.593 -167.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.5 p -112.34 -163.98 0.89 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -175.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.9 t -123.73 -104.49 0.37 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.486 1.114 . . . . 0.0 109.496 -166.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HG2' ' H ' ' A' ' 20' ' ' GLY . 62.4 tttt -87.26 179.35 6.64 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 128.872 2.869 . . . . 0.0 111.844 -165.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.416 ' H ' ' HG2' ' A' ' 19' ' ' LYS . . . -174.29 176.9 46.65 Favored Glycine 0 CA--C 1.49 -1.497 0 N-CA-C 108.474 -1.85 . . . . 0.0 108.474 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 36.3 p90 -146.48 170.38 16.98 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 168.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -107.09 123.03 47.64 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 125.243 1.417 . . . . 0.0 108.355 -174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -107.45 175.6 5.44 Favored 'General case' 0 C--N 1.362 1.142 0 N-CA-C 104.994 -2.224 . . . . 0.0 104.994 168.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -90.12 24.74 2.38 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.728 1.611 . . . . 0.0 113.419 -171.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -116.57 -46.55 2.76 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 128.305 2.642 . . . . 0.0 107.715 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.2 -154.14 18.5 Favored Glycine 0 C--N 1.356 1.657 0 N-CA-C 105.75 -2.94 . . . . 0.0 105.75 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.3 m -87.88 145.88 25.84 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.806 1.643 . . . . 0.0 111.515 177.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.0 mm -94.09 135.25 29.02 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 C-N-CA 128.794 2.838 . . . . 0.0 105.711 166.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.8 m -123.57 114.85 20.59 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.198 1.399 . . . . 0.0 107.233 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -112.01 148.37 33.98 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.342 1.857 . . . . 0.0 107.634 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.26 1.609 0 C-N-CA 125.789 1.636 . . . . 0.0 110.616 -178.87 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.399 0.618 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 p -105.55 -63.1 1.28 Allowed 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.576 1.95 . . . . 0.0 106.348 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.0 p -139.18 -150.71 0.34 Allowed 'General case' 0 C--N 1.359 0.983 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.4 p -62.61 -27.2 69.04 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 130.296 3.439 . . . . 0.0 115.277 172.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -80.25 -4.89 55.02 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.048 2.139 . . . . 0.0 115.748 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -103.61 1.28 31.87 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.436 1.894 . . . . 0.0 109.623 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -107.9 10.67 28.46 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 126.532 1.933 . . . . 0.0 109.458 174.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -96.17 -21.77 17.7 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 127.396 2.278 . . . . 0.0 109.76 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 t -131.65 68.61 1.49 Allowed 'General case' 0 C--N 1.356 0.886 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -142.88 -52.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -174.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.2 m -107.51 5.25 26.96 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.36 2.264 . . . . 0.0 109.592 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -93.65 -29.81 15.25 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 127.617 2.367 . . . . 0.0 108.448 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -97.42 -4.09 38.91 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 128.217 2.607 . . . . 0.0 111.789 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tt -115.36 -55.65 2.43 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.497 1.519 . . . . 0.0 107.426 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -106.88 -124.95 0.24 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.726 1.61 . . . . 0.0 108.25 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -154.17 37.96 0.44 Allowed 'General case' 0 C--N 1.365 1.27 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.8 p -112.18 -165.15 0.97 Allowed 'General case' 0 C--N 1.361 1.093 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -173.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -125.88 -105.36 0.34 Allowed 'General case' 0 C--N 1.354 0.8 0 C-N-CA 124.347 1.059 . . . . 0.0 108.938 -165.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HG2' ' H ' ' A' ' 20' ' ' GLY . 52.6 tttt -85.12 -178.32 6.76 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.729 2.812 . . . . 0.0 112.525 -164.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.48 ' H ' ' HG2' ' A' ' 19' ' ' LYS . . . -178.27 178.27 48.55 Favored Glycine 0 CA--C 1.491 -1.464 0 N-CA-C 108.286 -1.926 . . . . 0.0 108.286 -175.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.6 p90 -150.23 160.73 43.47 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 104.639 -2.356 . . . . 0.0 104.639 169.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.9 t -106.71 121.85 45.18 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.826 0.851 . . . . 0.0 109.515 -174.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -105.91 177.98 4.7 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.103 2.161 . . . . 0.0 105.712 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -89.82 17.45 6.65 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 125.655 1.582 . . . . 0.0 113.345 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.31 -16.39 12.01 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.905 2.482 . . . . 0.0 109.957 174.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.48 -161.5 27.97 Favored Glycine 0 C--N 1.364 2.089 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.9 m -90.31 135.62 33.56 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.102 1.761 . . . . 0.0 110.423 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.4 mm -84.95 138.22 19.46 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 C-N-CA 128.618 2.767 . . . . 0.0 107.102 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.3 m -126.21 113.61 17.22 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -112.3 148.57 33.92 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.379 1.872 . . . . 0.0 107.503 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.26 1.63 0 C-N-CA 125.64 1.576 . . . . 0.0 110.72 -178.413 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.398 0.618 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 t -157.54 31.98 0.27 Allowed 'General case' 0 C--N 1.358 0.966 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.2 p -111.47 -116.97 0.31 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.299 1.839 . . . . 0.0 107.171 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.1 m -160.91 -48.77 0.05 OUTLIER 'General case' 0 C--N 1.356 0.861 0 N-CA-C 104.437 -2.431 . . . . 0.0 104.437 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -91.85 47.26 1.33 Allowed 'General case' 0 C--N 1.37 1.475 0 C-N-CA 127.701 2.4 . . . . 0.0 111.138 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -129.93 17.66 5.64 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 163.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -147.73 24.97 1.07 Allowed 'General case' 0 C--N 1.365 1.255 0 C-N-CA 126.532 1.933 . . . . 0.0 108.057 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -95.7 130.42 42.6 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 120.524 -1.36 . . . . 0.0 108.512 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m 70.0 51.66 0.41 Allowed 'General case' 0 C--N 1.368 1.398 0 C-N-CA 128.039 2.536 . . . . 0.0 112.177 -176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.02 -59.17 3.38 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 C-N-CA 126.256 1.822 . . . . 0.0 109.087 -170.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.7 m -110.35 -0.84 17.46 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 127.834 2.454 . . . . 0.0 109.127 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -90.16 -28.94 18.59 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 127.755 2.422 . . . . 0.0 109.429 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -89.04 -25.74 21.79 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 128.462 2.705 . . . . 0.0 111.652 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -110.27 -60.09 1.85 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 125.369 1.467 . . . . 0.0 111.089 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -101.16 -2.82 30.39 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.083 1.353 . . . . 0.0 113.681 -167.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 m120 79.14 31.1 0.3 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 127.743 2.417 . . . . 0.0 114.826 169.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 31' ' ' SER . 75.2 p -110.8 -160.91 0.73 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.107 1.763 . . . . 0.0 107.102 -172.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.5 m -108.85 -112.55 0.3 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.344 1.058 . . . . 0.0 110.846 -172.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -77.83 138.5 38.98 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 126.542 1.937 . . . . 0.0 114.889 -164.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.97 129.82 6.68 Favored Glycine 0 C--N 1.356 1.655 0 N-CA-C 106.411 -2.676 . . . . 0.0 106.411 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -135.86 166.66 22.79 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.1 m -100.28 142.68 31.42 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.817 1.647 . . . . 0.0 108.377 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -107.72 -83.69 0.54 Allowed 'General case' 0 C--N 1.359 1.019 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 169.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -149.19 -48.62 0.14 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 2.3 mpt_? -80.83 -36.96 30.86 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 128.636 2.774 . . . . 0.0 113.512 -169.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.57 -151.34 9.12 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.464 -2.254 . . . . 0.0 107.464 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.2 m -94.92 156.16 16.45 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.711 2.004 . . . . 0.0 110.493 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.4 mm -117.52 105.3 17.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.046 0 N-CA-C 104.605 -2.368 . . . . 0.0 104.605 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 62.1 m -104.17 100.72 10.46 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 125.633 1.573 . . . . 0.0 109.337 -170.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -115.98 153.75 31.06 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 125.528 1.531 . . . . 0.0 108.532 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.405 ' HA ' ' HB ' ' A' ' 17' ' ' THR . 44.9 m . . . . . 0 C--O 1.26 1.611 0 C-N-CA 126.241 1.816 . . . . 0.0 110.891 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.442 0.639 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 p -104.42 -51.93 3.01 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.935 2.094 . . . . 0.0 109.103 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.9 p -128.11 178.19 6.39 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.862 1.665 . . . . 0.0 107.368 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.1 t -70.07 -33.29 71.73 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.781 3.232 . . . . 0.0 111.477 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.29 17.72 7.98 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.951 2.501 . . . . 0.0 112.52 -177.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -97.95 -25.66 14.91 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.712 2.405 . . . . 0.0 107.427 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -100.58 9.78 42.05 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 127.224 2.21 . . . . 0.0 111.66 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -93.0 -17.63 23.68 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.462 1.905 . . . . 0.0 110.832 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 p -136.47 61.23 1.64 Allowed 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.443 1.497 . . . . 0.0 107.191 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -128.47 -48.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.254 0 C-N-CA 124.48 1.112 . . . . 0.0 109.082 -174.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -106.82 3.46 26.45 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 126.16 1.784 . . . . 0.0 110.772 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.11 8.38 15.65 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.048 1.339 . . . . 0.0 109.409 171.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -100.69 -30.96 11.45 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 128.525 2.73 . . . . 0.0 108.12 168.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp -101.76 -59.57 1.68 Allowed 'General case' 0 C--N 1.367 1.33 0 C-N-CA 127.041 2.136 . . . . 0.0 109.466 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -98.55 -91.36 0.27 Allowed 'General case' 0 C--N 1.367 1.338 0 C-N-CA 124.976 1.31 . . . . 0.0 111.914 -168.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -149.48 -59.59 0.21 Allowed 'General case' 0 C--N 1.365 1.268 0 CA-C-N 118.923 0.783 . . . . 0.0 112.16 -173.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.5 p -133.16 138.64 46.68 Favored 'General case' 0 C--N 1.366 1.293 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -171.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 t -150.09 121.18 7.73 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.973 1.309 . . . . 0.0 109.8 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.64 84.17 2.07 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 103.508 -2.775 . . . . 0.0 103.508 165.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.51 -177.11 26.13 Favored Glycine 0 C--N 1.357 1.716 0 C-N-CA 125.289 1.423 . . . . 0.0 113.558 -168.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 36.6 p90 -150.38 168.76 23.18 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 169.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -111.11 121.5 45.49 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 126.562 1.945 . . . . 0.0 106.129 -175.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.94 -90.0 0.34 Allowed 'General case' 0 C--N 1.365 1.243 0 C-N-CA 125.031 1.332 . . . . 0.0 109.446 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -142.8 -47.99 0.33 Allowed 'General case' 0 C--N 1.358 0.963 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -170.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -86.24 -31.02 21.9 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.229 2.212 . . . . 0.0 112.405 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.01 -154.39 23.27 Favored Glycine 0 CA--C 1.487 -1.681 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.5 m -85.66 157.99 20.19 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 126.756 2.022 . . . . 0.0 111.411 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.4 mm -114.85 141.6 30.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.6 m -127.78 114.51 17.35 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 -178.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -116.74 -165.79 1.1 Allowed 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.814 1.646 . . . . 0.0 106.911 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.261 1.665 0 C-N-CA 124.857 1.263 . . . . 0.0 108.951 176.037 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.63 0.728 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 p -114.66 -54.37 2.58 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.55 1.94 . . . . 0.0 105.794 165.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -139.19 -164.32 1.64 Allowed 'General case' 0 C--N 1.362 1.113 0 N-CA-C 106.182 -1.785 . . . . 0.0 106.182 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.0 p -64.6 -28.37 69.58 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 130.883 3.673 . . . . 0.0 114.214 169.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -86.35 2.21 48.29 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 128.056 2.543 . . . . 0.0 113.488 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -104.77 -6.76 20.02 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 126.903 2.081 . . . . 0.0 109.127 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 70.4 m -102.25 10.95 38.89 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 126.54 1.936 . . . . 0.0 110.126 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -96.4 -22.05 17.39 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.454 2.301 . . . . 0.0 109.187 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 p -128.66 65.76 1.42 Allowed 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.498 1.919 . . . . 0.0 106.364 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 p -140.62 -53.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.248 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m -106.03 6.13 30.92 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.245 2.218 . . . . 0.0 109.779 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -95.8 -32.44 12.69 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 127.095 2.158 . . . . 0.0 108.399 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -90.85 -12.0 37.59 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 128.181 2.592 . . . . 0.0 112.16 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 98.6 mt -110.97 -54.17 2.63 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 125.547 1.539 . . . . 0.0 108.981 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -105.44 -118.61 0.23 Allowed 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.008 1.323 . . . . 0.0 109.465 -173.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -163.98 42.45 0.1 Allowed 'General case' 0 C--N 1.363 1.177 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -169.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.9 p -121.44 -171.15 2.16 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.6 m -118.39 -105.83 0.39 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 124.878 1.271 . . . . 0.0 109.744 -168.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 mmtm -83.09 -174.94 5.58 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.588 2.755 . . . . 0.0 113.587 -166.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 177.68 177.13 46.26 Favored Glycine 0 CA--C 1.49 -1.51 0 N-CA-C 107.846 -2.102 . . . . 0.0 107.846 -173.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 31.5 p90 -148.77 164.21 35.07 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 168.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.2 t -110.43 122.52 47.92 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.371 0.668 . . . . 0.0 109.319 -174.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -106.0 -179.7 4.02 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.248 2.219 . . . . 0.0 105.697 169.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -86.76 14.63 6.8 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 126.112 1.765 . . . . 0.0 113.735 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -100.27 -46.76 5.17 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 128.499 2.72 . . . . 0.0 108.673 175.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.4 -152.1 20.38 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 105.821 -2.912 . . . . 0.0 105.821 -175.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.2 m -89.52 141.89 28.17 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.837 1.655 . . . . 0.0 110.905 174.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -89.27 138.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.152 0 C-N-CA 128.616 2.766 . . . . 0.0 106.345 165.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.8 m -125.2 115.91 21.17 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -113.84 148.92 35.81 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.446 1.898 . . . . 0.0 107.255 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.26 1.611 0 C-N-CA 125.649 1.58 . . . . 0.0 110.687 -179.022 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.74 0.781 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -144.83 -30.08 0.45 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.8 p -124.3 166.12 16.47 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 126.078 1.751 . . . . 0.0 107.001 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.6 m -72.39 -27.62 62.48 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 128.951 2.9 . . . . 0.0 112.8 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -88.17 10.6 18.84 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 128.304 2.642 . . . . 0.0 113.111 -176.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -98.37 -23.3 15.66 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 127.717 2.407 . . . . 0.0 107.834 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.3 m -99.27 10.79 40.73 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.245 2.218 . . . . 0.0 111.536 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -93.31 -18.5 22.38 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.68 1.992 . . . . 0.0 110.541 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -133.27 74.43 1.56 Allowed 'General case' 0 C--N 1.357 0.9 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 175.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.7 p -139.06 -50.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.399 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.8 m -104.3 4.71 33.95 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 126.321 1.848 . . . . 0.0 110.912 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.13 6.44 15.12 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.089 1.356 . . . . 0.0 109.422 170.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -100.83 -28.55 12.73 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.072 2.549 . . . . 0.0 107.758 168.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mp -99.54 -62.37 1.25 Allowed 'General case' 0 C--N 1.368 1.381 0 C-N-CA 127.214 2.205 . . . . 0.0 109.554 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -97.69 -91.7 0.25 Allowed 'General case' 0 C--N 1.366 1.305 0 C-N-CA 125.063 1.345 . . . . 0.0 112.058 -167.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -148.27 -60.2 0.25 Allowed 'General case' 0 C--N 1.365 1.279 0 CA-C-N 119.085 0.857 . . . . 0.0 112.19 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -135.12 136.18 41.73 Favored 'General case' 0 C--N 1.365 1.256 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -146.21 126.22 13.69 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 125.254 1.422 . . . . 0.0 109.588 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -139.32 91.03 2.47 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 164.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.09 -175.14 22.77 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 124.992 1.282 . . . . 0.0 113.029 -169.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -150.51 167.29 27.63 Favored 'General case' 0 N--CA 1.433 -1.294 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 169.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.4 t -109.35 121.85 46.09 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 126.065 1.746 . . . . 0.0 106.387 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -99.52 -87.52 0.36 Allowed 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.021 1.328 . . . . 0.0 109.684 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -141.88 -49.36 0.38 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -91.62 -27.65 18.0 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.243 2.217 . . . . 0.0 112.155 -170.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.57 -154.53 23.17 Favored Glycine 0 C--N 1.357 1.705 0 N-CA-C 107.569 -2.212 . . . . 0.0 107.569 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.8 m -87.05 158.69 19.16 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 126.94 2.096 . . . . 0.0 111.365 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 mm -114.92 144.21 22.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 N-CA-C 102.785 -3.043 . . . . 0.0 102.785 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 96.2 m -129.66 116.87 19.47 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -114.04 150.75 33.5 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 125.427 1.491 . . . . 0.0 107.635 176.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.26 1.616 0 C-N-CA 124.91 1.284 . . . . 0.0 109.18 179.848 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 121.2 0.524 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.4 p -114.91 -38.95 3.78 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.252 1.821 . . . . 0.0 110.08 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.7 p -123.07 -78.36 0.6 Allowed 'General case' 0 C--N 1.364 1.223 0 C-N-CA 124.419 1.088 . . . . 0.0 110.592 -168.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -177.38 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.357 0.908 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 -162.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -73.77 -11.68 60.46 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 128.892 2.877 . . . . 0.0 114.998 -172.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -94.88 0.08 54.47 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 126.902 2.081 . . . . 0.0 110.182 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.9 m -114.46 15.92 17.8 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.193 2.197 . . . . 0.0 108.56 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -107.24 134.24 50.62 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 169.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m 73.76 46.19 0.21 Allowed 'General case' 0 C--N 1.363 1.193 0 C-N-CA 126.779 2.032 . . . . 0.0 111.933 -176.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.5 -49.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.363 1.19 0 C-N-CA 126.122 1.769 . . . . 0.0 108.273 -171.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.1 m -116.12 2.75 13.43 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 128.134 2.574 . . . . 0.0 108.784 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.501 ' HG3' ' H ' ' A' ' 18' ' ' SER . 6.0 tt0 -103.51 -36.04 8.11 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.579 2.352 . . . . 0.0 107.987 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -80.69 -20.29 43.24 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 129.019 2.927 . . . . 0.0 112.526 170.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.4 tp -94.82 -51.04 4.87 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 126.212 1.805 . . . . 0.0 110.492 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -100.1 -90.55 0.31 Allowed 'General case' 0 C--N 1.367 1.347 0 C-N-CA 125.325 1.45 . . . . 0.0 108.83 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.53 -53.22 0.04 OUTLIER 'General case' 0 C--N 1.363 1.174 0 CA-C-N 119.053 0.842 . . . . 0.0 112.258 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 p -121.68 127.54 50.88 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.501 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.252 5.6 t -164.33 136.55 4.75 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 124.965 1.306 . . . . 0.0 112.577 174.158 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -118.39 159.31 23.67 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 103.951 -2.611 . . . . 0.0 103.951 160.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.97 167.11 33.2 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 -173.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -140.58 172.66 12.4 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 169.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.6 t -110.38 127.75 55.23 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.853 1.661 . . . . 0.0 107.639 -173.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -101.89 -9.93 20.29 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.196 1.798 . . . . 0.0 109.816 173.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.287 72.8 m80 79.97 8.44 1.54 Allowed 'General case' 0 C--N 1.367 1.36 0 C-N-CA 129.519 3.127 . . . . 0.0 114.112 175.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -104.87 -23.09 13.06 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 128.529 2.732 . . . . 0.0 107.856 171.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.23 -160.92 31.71 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 104.827 -3.309 . . . . 0.0 104.827 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.9 m -104.52 162.91 12.85 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.9 1.68 . . . . 0.0 108.854 175.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.1 mm -114.88 138.78 43.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.0 m -124.83 121.11 33.64 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 124.807 1.243 . . . . 0.0 108.469 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -102.66 -176.51 3.12 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 127.763 2.425 . . . . 0.0 107.528 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--O 1.26 1.625 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 173.08 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.699 0.762 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.41 ' H ' ' H ' ' A' ' 3' ' ' THR . 14.9 t -145.36 -29.64 0.43 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 176.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.41 ' H ' ' H ' ' A' ' 2' ' ' THR . 17.4 p -127.4 167.14 16.63 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 125.61 1.564 . . . . 0.0 107.452 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 t -70.63 -31.5 68.47 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 129.869 3.268 . . . . 0.0 112.372 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -91.55 12.39 21.04 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 127.289 2.235 . . . . 0.0 112.896 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -111.61 8.44 20.88 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.302 2.241 . . . . 0.0 107.59 170.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.8 m -124.22 18.15 9.1 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 127.157 2.183 . . . . 0.0 107.78 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.7 m0 -106.28 131.8 53.08 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 169.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.361 46.3 p 73.28 44.88 0.3 Allowed 'General case' 0 C--N 1.362 1.139 0 C-N-CA 128.473 2.709 . . . . 0.0 112.527 -174.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.69 -48.42 4.96 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 126.279 1.832 . . . . 0.0 108.397 -171.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.3 m -116.96 0.28 12.39 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.339 2.256 . . . . 0.0 108.683 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -97.55 -21.38 17.12 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.502 1.921 . . . . 0.0 108.329 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -80.88 -39.21 26.74 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 129.083 2.953 . . . . 0.0 111.454 172.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.6 mt -97.85 -48.14 5.3 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.662 1.585 . . . . 0.0 111.408 -172.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -108.06 -112.23 0.3 Allowed 'General case' 0 C--N 1.364 1.218 0 C-N-CA 125.177 1.391 . . . . 0.0 109.722 -175.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -167.12 48.67 0.06 Allowed 'General case' 0 C--N 1.365 1.243 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -166.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 p -111.12 -152.44 0.5 Allowed 'General case' 0 C--N 1.361 1.089 0 O-C-N 120.912 -1.118 . . . . 0.0 109.944 -169.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.4 t -147.04 -91.44 0.09 Allowed 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -88.58 148.06 24.28 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 127.895 2.478 . . . . 0.0 112.137 -167.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.42 156.07 26.49 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.733 -2.147 . . . . 0.0 107.733 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -144.14 172.47 12.85 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 172.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -110.97 126.62 54.96 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 126.117 1.767 . . . . 0.0 106.969 -174.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -101.28 -89.18 0.36 Allowed 'General case' 0 C--N 1.364 1.239 0 C-N-CA 125.745 1.618 . . . . 0.0 108.602 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -153.75 -48.14 0.09 Allowed 'General case' 0 C--N 1.357 0.912 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 -171.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -78.52 -23.71 46.14 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 128.57 2.748 . . . . 0.0 114.137 -175.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.5 -153.53 24.44 Favored Glycine 0 C--N 1.357 1.734 0 N-CA-C 106.622 -2.591 . . . . 0.0 106.622 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.3 m -91.39 160.07 15.66 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 126.65 1.98 . . . . 0.0 110.802 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -115.1 139.98 38.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 C-N-CA 128.557 2.743 . . . . 0.0 103.845 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.5 m -130.49 117.4 19.56 Favored 'General case' 0 C--N 1.361 1.074 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -107.22 21.52 17.39 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 125.906 1.683 . . . . 0.0 113.895 -167.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.6 m . . . . . 0 C--O 1.26 1.628 0 C-N-CA 127.337 2.255 . . . . 0.0 114.616 172.596 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 121.633 0.73 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -142.49 -39.87 0.35 Allowed 'General case' 0 C--N 1.356 0.891 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 162.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -140.68 -168.35 2.56 Favored 'General case' 0 C--N 1.363 1.186 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.6 t -58.6 -35.25 72.15 Favored 'General case' 0 C--N 1.365 1.257 1 C-N-CA 132.081 4.152 . . . . 0.0 115.56 178.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -89.75 14.26 12.28 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 126.664 1.985 . . . . 0.0 114.986 -168.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -109.43 5.54 23.47 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.175 2.19 . . . . 0.0 107.687 173.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.7 m -120.15 9.37 11.11 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.376 1.871 . . . . 0.0 109.031 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -91.71 -25.72 18.96 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.435 1.894 . . . . 0.0 111.075 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 t -131.74 60.27 1.68 Allowed 'General case' 0 C--N 1.359 1.021 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.9 p -124.98 -46.32 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.239 0 C-N-CA 125.022 1.329 . . . . 0.0 109.184 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.1 m -115.61 -0.81 12.89 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.41 2.284 . . . . 0.0 109.09 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.622 ' HG3' ' H ' ' A' ' 18' ' ' SER . 4.5 tt0 -97.88 -31.28 12.28 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 128.166 2.586 . . . . 0.0 108.594 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 tmt_? -78.32 -28.62 47.39 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 129.327 3.051 . . . . 0.0 112.312 170.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.67 -49.3 6.36 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.56 1.944 . . . . 0.0 111.106 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -99.13 -93.34 0.26 Allowed 'General case' 0 C--N 1.365 1.241 0 C-N-CA 125.153 1.381 . . . . 0.0 108.845 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -159.94 -57.42 0.06 Allowed 'General case' 0 C--N 1.365 1.25 0 CA-C-N 119.863 1.21 . . . . 0.0 111.113 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.2 p -123.04 122.0 37.43 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.622 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.27 69.0 m -153.78 144.45 22.53 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 125.951 1.701 . . . . 0.0 111.926 173.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -135.57 134.13 39.06 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 102.761 -3.051 . . . . 0.0 102.761 173.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.72 -179.44 16.98 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-O 122.026 0.792 . . . . 0.0 111.183 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.7 p90 -150.09 167.1 27.76 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 104.325 -2.472 . . . . 0.0 104.325 168.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.4 t -116.29 124.4 50.06 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 106.887 -1.524 . . . . 0.0 106.887 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -98.73 -88.34 0.33 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.787 1.635 . . . . 0.0 109.726 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -140.33 -48.31 0.44 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -170.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -87.53 -29.74 21.1 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 127.196 2.199 . . . . 0.0 112.623 -171.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.98 -153.89 23.46 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 107.353 -2.299 . . . . 0.0 107.353 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.2 m -85.86 153.51 22.18 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 126.796 2.038 . . . . 0.0 111.85 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -113.21 136.11 50.6 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 N-CA-C 103.016 -2.957 . . . . 0.0 103.016 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.7 m -124.24 116.43 22.67 Favored 'General case' 0 C--N 1.359 1.006 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -111.28 -154.35 0.54 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.217 1.807 . . . . 0.0 107.081 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--O 1.261 1.691 0 C-N-CA 125.414 1.485 . . . . 0.0 108.245 172.654 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.407 0.623 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -141.35 -33.2 0.52 Allowed 'General case' 0 C--N 1.359 1.013 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 p -133.62 173.61 11.32 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.1 p -73.75 -24.75 59.92 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.269 2.628 . . . . 0.0 112.54 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -84.72 -9.26 58.39 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 128.651 2.78 . . . . 0.0 112.067 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -91.76 -7.16 50.44 Favored 'General case' 0 C--N 1.368 1.376 0 C-N-CA 127.525 2.33 . . . . 0.0 110.036 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.1 m -113.16 25.44 11.36 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 127.009 2.124 . . . . 0.0 109.575 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -108.77 130.69 55.38 Favored 'General case' 0 C--N 1.361 1.073 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 170.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.44 ' H ' HE21 ' A' ' 12' ' ' GLN . 5.5 t 80.8 49.58 0.02 OUTLIER 'General case' 0 C--N 1.366 1.295 0 C-N-CA 128.753 2.821 . . . . 0.0 109.569 -172.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.08 -59.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.364 1.223 0 C-N-CA 125.86 1.664 . . . . 0.0 108.713 -171.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.0 m -117.93 7.93 12.45 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 127.313 2.245 . . . . 0.0 108.833 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.44 HE21 ' H ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -110.04 10.45 24.11 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 126.567 1.947 . . . . 0.0 107.76 165.345 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -106.6 -10.86 16.04 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 127.385 2.274 . . . . 0.0 108.604 164.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.1 mt -107.78 -48.51 3.39 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.486 1.914 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -100.99 -95.3 0.27 Allowed 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.537 1.535 . . . . 0.0 109.448 -174.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -160.65 -60.67 0.06 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.2 p -127.04 130.0 49.13 Favored 'General case' 0 C--N 1.361 1.072 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.269 3.9 t -153.57 147.2 25.13 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 124.502 1.121 . . . . 0.0 108.895 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -118.68 126.09 51.13 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 170.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.46 146.98 17.25 Favored Glycine 0 C--N 1.357 1.739 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 45.8 p90 -138.48 166.23 24.81 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -109.73 125.31 52.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.855 1.662 . . . . 0.0 108.248 -172.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -103.03 -7.8 21.1 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.528 1.931 . . . . 0.0 109.675 173.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.289 72.5 m80 80.86 15.64 0.62 Allowed 'General case' 0 C--N 1.367 1.349 0 C-N-CA 129.889 3.276 . . . . 0.0 113.521 176.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -113.31 -10.5 13.3 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.942 2.497 . . . . 0.0 108.416 169.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.36 -165.75 31.45 Favored Glycine 0 C--N 1.359 1.832 0 N-CA-C 105.674 -2.971 . . . . 0.0 105.674 -176.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 79.5 m -104.79 154.28 20.22 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 126.036 1.734 . . . . 0.0 107.845 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.3 mm -113.32 110.39 32.02 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 C-N-CA 126.35 1.86 . . . . 0.0 106.322 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.4 m -105.2 109.49 21.49 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 124.974 1.309 . . . . 0.0 108.87 -176.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -116.93 18.1 14.81 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 124.792 1.237 . . . . 0.0 111.339 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.258 1.545 0 C-N-CA 127.747 2.419 . . . . 0.0 113.072 175.237 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.532 0.682 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -151.82 -10.37 0.2 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 124.528 1.131 . . . . 0.0 108.116 174.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 p -112.22 -98.19 0.42 Allowed 'General case' 0 C--N 1.366 1.295 0 C-N-CA 125.413 1.485 . . . . 0.0 110.055 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 t -179.4 -44.31 0.01 OUTLIER 'General case' 0 C--N 1.357 0.898 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 -168.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -73.18 -12.15 60.78 Favored 'General case' 0 C--N 1.371 1.518 0 C-N-CA 129.711 3.204 . . . . 0.0 114.597 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -94.88 14.72 20.63 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 126.992 2.117 . . . . 0.0 111.132 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.1 m -129.02 10.51 5.9 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.092 1.757 . . . . 0.0 108.916 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -91.86 -26.16 18.62 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 125.513 1.525 . . . . 0.0 111.866 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 p -126.35 44.84 2.78 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.57 1.548 . . . . 0.0 107.928 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.78 -40.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 126.799 2.04 . . . . 0.0 108.511 -176.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.8 m -102.22 1.01 35.42 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.391 1.876 . . . . 0.0 111.491 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -95.83 -13.74 23.79 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 125.932 1.693 . . . . 0.0 109.293 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -98.04 -31.95 11.88 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 128.969 2.907 . . . . 0.0 109.876 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -117.44 -57.54 2.13 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 125.128 1.371 . . . . 0.0 110.792 -170.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -102.01 -5.35 24.71 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -159.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.4 t30 78.82 21.84 0.69 Allowed 'General case' 0 C--N 1.369 1.452 0 C-N-CA 127.639 2.376 . . . . 0.0 114.072 170.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 p -116.81 -157.32 0.65 Allowed 'General case' 0 C--N 1.357 0.917 0 C-N-CA 128.038 2.535 . . . . 0.0 105.458 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.3 m -115.36 -110.12 0.36 Allowed 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.707 1.203 . . . . 0.0 110.752 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -77.88 -169.81 1.67 Allowed 'General case' 0 C--N 1.359 1.017 0 C-N-CA 128.512 2.725 . . . . 0.0 115.129 -165.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.85 -177.79 43.31 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 26.8 p90 -150.92 173.85 13.8 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 165.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.8 t -109.6 129.83 55.55 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.261 1.425 . . . . 0.0 107.287 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -99.94 -89.57 0.33 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.635 1.574 . . . . 0.0 108.562 177.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -151.96 -45.94 0.11 Allowed 'General case' 0 C--N 1.358 0.944 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -74.22 -34.49 63.7 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 128.623 2.769 . . . . 0.0 113.536 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.95 -150.7 15.26 Favored Glycine 0 CA--C 1.487 -1.658 0 N-CA-C 106.404 -2.678 . . . . 0.0 106.404 -176.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.3 m -89.36 159.41 17.36 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.756 2.022 . . . . 0.0 111.286 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.9 mm -113.16 145.76 18.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 C-N-CA 128.964 2.906 . . . . 0.0 103.656 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.4 m -113.58 124.19 51.76 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 125.257 1.423 . . . . 0.0 107.193 175.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -119.04 151.99 37.25 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 169.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.26 1.644 0 C-N-CA 125.373 1.469 . . . . 0.0 108.438 178.514 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.662 0.744 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -143.5 -34.2 0.41 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 106.282 -1.748 . . . . 0.0 106.282 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.5 p -131.14 174.51 9.96 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 125.93 1.692 . . . . 0.0 106.564 -178.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -71.35 -25.51 62.42 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 129.524 3.13 . . . . 0.0 113.069 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -86.18 2.89 45.2 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.746 2.418 . . . . 0.0 113.407 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -104.05 3.47 33.32 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.151 2.18 . . . . 0.0 109.023 172.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.6 m -124.97 20.07 8.36 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 126.819 2.048 . . . . 0.0 108.252 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -109.99 129.36 55.68 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 105.615 -1.994 . . . . 0.0 105.615 169.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t 78.59 49.98 0.03 OUTLIER 'General case' 0 C--N 1.365 1.28 0 C-N-CA 127.956 2.502 . . . . 0.0 110.995 -173.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -122.66 -55.56 2.83 Favored 'Isoleucine or valine' 0 C--N 1.364 1.226 0 C-N-CA 125.631 1.572 . . . . 0.0 107.711 -173.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.2 m -115.56 -0.01 13.18 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 127.976 2.51 . . . . 0.0 108.209 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.491 ' HG3' ' H ' ' A' ' 18' ' ' SER . 43.5 tt0 -98.47 -19.21 17.8 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.801 2.44 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -80.14 -39.15 30.01 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 129.878 3.271 . . . . 0.0 112.239 167.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.5 mt -95.15 -53.92 3.62 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 125.748 1.619 . . . . 0.0 112.175 -170.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -99.62 -3.12 33.88 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 125.668 1.587 . . . . 0.0 111.298 -174.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.319 71.9 m-20 91.31 -28.43 0.04 OUTLIER 'General case' 0 C--N 1.365 1.272 0 C-N-CA 128.692 2.797 . . . . 0.0 115.055 163.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.7 p -131.12 128.04 39.32 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 174.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.491 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.276 6.2 t -163.33 141.55 7.94 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 125.004 1.322 . . . . 0.0 111.394 172.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -117.19 123.12 45.89 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 163.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.36 154.77 20.5 Favored Glycine 0 CA--C 1.488 -1.611 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.6 p90 -142.68 169.54 17.38 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 t -108.43 125.04 51.32 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.016 1.726 . . . . 0.0 107.354 -173.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -98.85 -88.63 0.32 Allowed 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.603 1.561 . . . . 0.0 108.992 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -146.79 -50.1 0.2 Allowed 'General case' 0 C--N 1.359 0.98 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -172.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -87.02 -27.11 23.4 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.358 2.263 . . . . 0.0 112.72 -172.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.1 -154.19 21.06 Favored Glycine 0 C--N 1.356 1.68 0 N-CA-C 107.438 -2.265 . . . . 0.0 107.438 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 99.7 m -91.01 160.58 15.54 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 126.701 2.0 . . . . 0.0 111.171 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.1 mm -113.12 142.05 26.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 103.299 -2.852 . . . . 0.0 103.299 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -128.8 119.45 24.54 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -118.05 -154.65 0.57 Allowed 'General case' 0 C--N 1.362 1.135 0 C-N-CA 126.478 1.911 . . . . 0.0 106.815 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 C--O 1.26 1.624 0 C-N-CA 125.799 1.639 . . . . 0.0 107.811 171.138 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 121.662 0.744 . . . . 0.0 111.826 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -144.36 -31.5 0.44 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.9 p -126.66 167.25 15.95 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 125.957 1.703 . . . . 0.0 106.946 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -71.86 -27.41 62.85 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 128.887 2.875 . . . . 0.0 112.828 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -87.01 5.45 37.36 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 128.062 2.545 . . . . 0.0 113.104 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -99.51 -14.11 19.2 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 127.624 2.37 . . . . 0.0 108.882 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -104.18 13.21 32.76 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.57 1.948 . . . . 0.0 110.838 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -96.06 -23.21 16.9 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.576 1.951 . . . . 0.0 109.862 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 p -129.0 60.94 1.53 Allowed 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.907 1.683 . . . . 0.0 106.674 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -132.51 -50.61 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.269 0 C-N-CA 124.707 1.203 . . . . 0.0 108.069 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.2 m -108.88 1.2 20.67 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.454 2.302 . . . . 0.0 109.773 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -94.33 -29.39 15.06 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.772 2.029 . . . . 0.0 108.474 170.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -82.76 -28.97 30.01 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 129.697 3.199 . . . . 0.0 111.812 176.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.7 tp -101.69 -53.55 2.94 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 125.897 1.679 . . . . 0.0 110.562 -175.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -105.76 -114.6 0.25 Allowed 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.074 1.35 . . . . 0.0 109.756 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -165.88 43.43 0.07 Allowed 'General case' 0 C--N 1.365 1.239 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -168.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.6 p -120.46 -163.63 1.03 Allowed 'General case' 0 C--N 1.36 1.041 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -174.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.7 m -122.28 -107.35 0.35 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.545 1.138 . . . . 0.0 109.533 -170.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mmtp -85.13 -174.7 5.39 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.479 2.712 . . . . 0.0 113.385 -166.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.04 176.18 46.64 Favored Glycine 0 CA--C 1.49 -1.499 0 N-CA-C 108.081 -2.008 . . . . 0.0 108.081 -175.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -146.65 166.27 27.06 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 170.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -104.82 117.2 33.46 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.377 1.471 . . . . 0.0 108.868 -173.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -107.09 179.17 4.34 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 126.948 2.099 . . . . 0.0 105.999 171.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -91.75 21.23 4.92 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.91 1.684 . . . . 0.0 113.173 -176.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -109.46 -27.66 9.33 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 128.374 2.67 . . . . 0.0 109.067 172.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.52 -151.71 23.88 Favored Glycine 0 C--N 1.36 1.875 0 N-CA-C 105.65 -2.98 . . . . 0.0 105.65 -172.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.5 m -87.89 144.93 26.3 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.613 1.565 . . . . 0.0 111.056 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 mm -93.55 138.44 20.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 128.801 2.84 . . . . 0.0 105.497 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.8 m -126.07 114.05 17.89 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 -176.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -112.68 148.01 35.58 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.194 1.798 . . . . 0.0 107.424 176.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.259 1.59 0 C-N-CA 125.661 1.585 . . . . 0.0 108.591 179.446 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 121.469 0.652 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -148.76 -43.67 0.15 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 170.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.7 m -121.08 -80.85 0.63 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 125.353 1.461 . . . . 0.0 109.016 -168.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.5 m -173.63 -39.4 0.01 OUTLIER 'General case' 0 C--N 1.36 1.032 0 C-N-CA 126.03 1.732 . . . . 0.0 107.811 -158.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -83.08 8.8 11.91 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 127.268 2.227 . . . . 0.0 114.313 -171.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -108.69 1.87 21.49 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 128.223 2.609 . . . . 0.0 107.859 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -116.17 20.64 14.22 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 127.334 2.254 . . . . 0.0 107.906 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -110.01 127.94 55.11 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 172.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t 76.88 46.73 0.08 Allowed 'General case' 0 C--N 1.363 1.189 0 C-N-CA 127.857 2.463 . . . . 0.0 111.803 -171.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.4 p -123.05 -50.91 2.65 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 C-N-CA 125.424 1.49 . . . . 0.0 107.692 -174.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.2 m -112.76 0.77 15.38 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 127.411 2.285 . . . . 0.0 108.936 176.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -95.81 -22.13 17.68 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 127.306 2.242 . . . . 0.0 109.044 177.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 -31.29 21.24 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 128.272 2.629 . . . . 0.0 110.746 175.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -104.26 -63.45 1.2 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 125.476 1.51 . . . . 0.0 111.628 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -101.73 -0.93 33.59 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.118 1.367 . . . . 0.0 114.529 -161.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 t30 84.08 29.47 0.07 Allowed 'General case' 0 C--N 1.368 1.393 0 C-N-CA 127.417 2.287 . . . . 0.0 113.971 167.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.411 ' HB ' ' HA ' ' A' ' 31' ' ' SER . 73.2 p -109.74 -160.69 0.73 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 125.456 1.502 . . . . 0.0 107.804 -171.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.0 m -112.61 -109.13 0.36 Allowed 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.854 1.262 . . . . 0.0 110.934 -170.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -93.52 -174.03 3.37 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 127.016 2.127 . . . . 0.0 112.704 -165.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.48 167.18 39.35 Favored Glycine 0 CA--C 1.489 -1.548 0 N-CA-C 107.806 -2.117 . . . . 0.0 107.806 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -139.21 174.49 10.46 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 166.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.5 t -121.07 130.02 53.58 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -97.86 -89.24 0.29 Allowed 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.022 1.729 . . . . 0.0 109.335 -177.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -145.58 -49.6 0.23 Allowed 'General case' 0 C--N 1.358 0.961 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -172.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -85.88 -27.16 25.19 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.293 2.237 . . . . 0.0 113.023 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.64 -156.37 25.83 Favored Glycine 0 C--N 1.357 1.738 0 N-CA-C 107.719 -2.152 . . . . 0.0 107.719 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.1 m -88.93 154.32 20.33 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.644 1.978 . . . . 0.0 111.826 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.9 mm -112.13 140.53 31.32 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.4 m -126.27 112.94 16.31 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 124.835 1.254 . . . . 0.0 107.617 -175.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -108.68 152.51 24.72 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.154 1.782 . . . . 0.0 108.538 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.411 ' HA ' ' HB ' ' A' ' 17' ' ' THR . 49.5 m . . . . . 0 C--O 1.26 1.648 0 C-N-CA 126.077 1.751 . . . . 0.0 110.267 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 121.251 0.548 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -147.39 -26.18 0.38 Allowed 'General case' 0 C--N 1.36 1.065 0 C-N-CA 123.795 0.838 . . . . 0.0 109.011 -175.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 p -126.18 -86.16 0.61 Allowed 'General case' 0 C--N 1.363 1.193 0 C-N-CA 124.038 0.935 . . . . 0.0 108.865 -175.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.3 m -166.02 -42.23 0.03 OUTLIER 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.86 1.664 . . . . 0.0 107.072 -170.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -87.8 23.89 1.9 Allowed 'General case' 0 C--N 1.37 1.473 0 C-N-CA 126.598 1.959 . . . . 0.0 114.56 -169.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -113.7 1.73 14.98 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 126.91 2.084 . . . . 0.0 107.274 170.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.2 m -117.79 9.59 13.02 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 127.088 2.155 . . . . 0.0 108.841 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -99.57 129.03 45.7 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.352 81.0 p 64.25 44.51 4.34 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 129.136 2.974 . . . . 0.0 114.88 -174.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.1 p -112.23 -40.98 3.87 Favored 'Isoleucine or valine' 0 C--N 1.363 1.183 0 C-N-CA 126.92 2.088 . . . . 0.0 108.425 -169.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.4 m -107.48 10.55 29.36 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.717 2.007 . . . . 0.0 110.081 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -95.37 -30.22 14.03 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 126.513 1.925 . . . . 0.0 107.977 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -72.28 -28.8 63.34 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 131.162 3.785 . . . . 0.0 112.747 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mp -101.03 -60.58 1.5 Allowed 'General case' 0 C--N 1.366 1.288 0 C-N-CA 126.723 2.009 . . . . 0.0 108.844 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -108.04 -114.74 0.28 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.705 1.602 . . . . 0.0 109.451 -171.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -162.75 43.3 0.12 Allowed 'General case' 0 C--N 1.365 1.267 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.7 p -133.75 127.02 31.9 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 -174.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.0 m -77.89 -90.71 0.04 OUTLIER 'General case' 0 C--N 1.357 0.893 0 C-N-CA 127.887 2.475 . . . . 0.0 116.252 -162.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -83.45 154.56 23.88 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 129.249 3.02 . . . . 0.0 112.027 -164.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.67 178.19 28.26 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -177.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.5 p90 -144.56 171.86 13.78 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 168.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 t -107.75 126.68 52.91 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 125.475 1.51 . . . . 0.0 107.923 -174.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -101.02 -8.78 22.04 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 126.165 1.786 . . . . 0.0 109.771 173.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.294 70.7 m80 80.3 6.85 1.59 Allowed 'General case' 0 C--N 1.368 1.376 0 C-N-CA 129.37 3.068 . . . . 0.0 114.417 172.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -104.6 -23.66 13.08 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 128.286 2.635 . . . . 0.0 107.858 169.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.13 -162.29 31.12 Favored Glycine 0 C--N 1.356 1.693 0 N-CA-C 105.135 -3.186 . . . . 0.0 105.135 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.6 m -101.88 163.51 12.21 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 126.046 1.738 . . . . 0.0 109.42 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.9 mm -112.98 143.48 22.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 103.521 -2.77 . . . . 0.0 103.521 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -131.65 115.86 16.61 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -120.31 149.94 41.5 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.259 1.599 0 C-N-CA 125.158 1.383 . . . . 0.0 111.788 -175.531 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.644 0.735 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -145.54 -29.67 0.43 Allowed 'General case' 0 C--N 1.358 0.939 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.0 p -123.75 161.27 25.52 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 125.71 1.604 . . . . 0.0 107.725 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.6 p -70.79 -31.05 67.7 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 129.279 3.032 . . . . 0.0 113.291 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -90.54 15.11 11.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.836 2.454 . . . . 0.0 113.58 -177.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -113.26 2.39 15.54 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.251 2.221 . . . . 0.0 107.982 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.2 m -117.34 11.62 14.04 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.572 1.949 . . . . 0.0 109.037 175.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -92.65 -23.76 18.88 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 126.419 1.887 . . . . 0.0 111.418 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 p -132.07 57.13 1.79 Allowed 'General case' 0 C--N 1.357 0.933 0 C-N-CA 125.585 1.554 . . . . 0.0 107.198 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.09 -47.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.364 1.221 0 C-N-CA 124.954 1.301 . . . . 0.0 108.932 -174.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.0 m -107.6 -0.73 21.8 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.034 2.133 . . . . 0.0 111.108 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 17.42 21.45 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.87 1.668 . . . . 0.0 108.97 168.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -107.79 -4.08 18.43 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 128.222 2.609 . . . . 0.0 107.79 163.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.5 mt -117.75 -51.71 2.47 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.148 2.179 . . . . 0.0 108.37 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -98.7 -99.19 0.22 Allowed 'General case' 0 C--N 1.366 1.309 0 C-N-CA 126.242 1.817 . . . . 0.0 109.966 -174.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -155.91 -59.41 0.1 Allowed 'General case' 0 C--N 1.366 1.286 0 CA-C-N 119.381 0.992 . . . . 0.0 110.87 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -135.84 127.25 28.53 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 -177.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.3 m -150.25 152.53 34.7 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.85 1.26 . . . . 0.0 110.057 -173.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.15 176.51 7.0 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 168.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.7 175.17 47.2 Favored Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -150.51 169.4 21.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 N-CA-C 104.612 -2.366 . . . . 0.0 104.612 169.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.5 t -105.02 121.77 44.47 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.288 1.435 . . . . 0.0 108.571 -175.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -109.45 178.1 4.54 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 169.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.54 9.59 17.95 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.141 1.777 . . . . 0.0 113.589 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -98.35 -44.04 6.69 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 128.371 2.668 . . . . 0.0 109.097 176.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.8 -152.62 22.35 Favored Glycine 0 C--N 1.353 1.475 0 N-CA-C 105.331 -3.108 . . . . 0.0 105.331 -174.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 m -85.28 142.73 29.17 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 125.806 1.642 . . . . 0.0 110.853 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 mm -91.39 134.64 29.26 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 C-N-CA 128.319 2.648 . . . . 0.0 106.379 168.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.3 m -119.81 124.92 47.31 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 177.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -107.27 37.8 2.29 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 127.709 2.404 . . . . 0.0 109.236 177.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.7 p . . . . . 0 C--O 1.259 1.563 0 C-N-CA 128.921 2.888 . . . . 0.0 113.861 176.365 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 121.386 0.612 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.408 ' H ' ' H ' ' A' ' 3' ' ' THR . 10.8 t -150.96 -18.14 0.21 Allowed 'General case' 0 C--N 1.359 0.989 0 C-N-CA 124.137 0.975 . . . . 0.0 108.393 -177.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.408 ' H ' ' H ' ' A' ' 2' ' ' THR . 21.1 p -107.28 132.92 52.57 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.848 1.659 . . . . 0.0 107.36 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.8 m -62.47 -20.91 65.04 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 129.26 3.024 . . . . 0.0 117.263 -167.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -91.14 22.43 3.77 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 126.899 2.079 . . . . 0.0 112.619 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -116.84 11.63 14.52 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 126.739 2.015 . . . . 0.0 108.514 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.8 m -141.9 29.21 1.7 Allowed 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.664 1.585 . . . . 0.0 108.405 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -101.76 130.05 48.08 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 172.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 m 70.48 47.26 0.51 Allowed 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.477 2.311 . . . . 0.0 112.051 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.0 p -113.9 -46.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.366 1.309 0 C-N-CA 126.342 1.857 . . . . 0.0 109.079 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.0 m -118.7 -2.29 10.97 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 127.161 2.184 . . . . 0.0 108.982 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.93 16.31 21.31 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 126.091 1.756 . . . . 0.0 109.353 170.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.05 -24.14 13.64 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 127.449 2.3 . . . . 0.0 108.45 160.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mp -96.51 -49.16 5.26 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.473 2.309 . . . . 0.0 109.666 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -99.6 -98.87 0.23 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 125.653 1.581 . . . . 0.0 109.366 -175.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -158.61 -58.26 0.07 Allowed 'General case' 0 C--N 1.363 1.17 0 CA-C-N 119.024 0.829 . . . . 0.0 110.919 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 p -130.19 128.32 41.47 Favored 'General case' 0 C--N 1.363 1.194 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.2 m -149.8 144.6 26.11 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 125.627 1.571 . . . . 0.0 108.099 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -120.34 110.53 16.65 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 103.65 -2.722 . . . . 0.0 103.65 172.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.3 145.31 18.68 Favored Glycine 0 C--N 1.356 1.641 0 C-N-CA 124.298 0.951 . . . . 0.0 111.341 -171.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -137.84 174.99 9.98 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 170.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.1 m -110.53 141.64 43.41 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.355 1.862 . . . . 0.0 107.088 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -101.92 -85.89 0.43 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 125.979 1.712 . . . . 0.0 106.802 170.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -152.4 -46.95 0.1 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -82.12 -21.95 36.43 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 128.116 2.566 . . . . 0.0 114.496 -171.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.78 -151.98 19.2 Favored Glycine 0 C--N 1.356 1.676 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 97.8 m -94.66 160.12 14.77 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 126.659 1.984 . . . . 0.0 111.739 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.6 mm -117.89 122.01 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 102.421 -3.177 . . . . 0.0 102.421 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.6 m -114.2 112.76 23.67 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 124.523 1.129 . . . . 0.0 108.056 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -111.41 -157.67 0.62 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 126.048 1.739 . . . . 0.0 107.957 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.261 1.688 0 C-N-CA 125.783 1.633 . . . . 0.0 108.457 174.53 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 121.595 0.712 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -143.54 -34.65 0.4 Allowed 'General case' 0 C--N 1.358 0.941 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -128.51 170.88 12.65 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 125.785 1.634 . . . . 0.0 106.74 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.6 p -72.27 -25.62 61.67 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 128.673 2.789 . . . . 0.0 112.902 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -86.54 0.22 54.77 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.463 2.705 . . . . 0.0 112.714 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -98.75 -8.06 26.64 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 127.731 2.412 . . . . 0.0 108.959 174.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.8 m -114.35 22.07 14.07 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 126.932 2.093 . . . . 0.0 109.275 176.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -107.35 132.86 52.68 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 169.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m 73.05 55.28 0.12 Allowed 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.421 2.288 . . . . 0.0 110.834 -177.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.08 -54.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.266 0 C-N-CA 125.556 1.542 . . . . 0.0 107.426 -169.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.6 m -113.55 2.99 15.52 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 127.182 2.193 . . . . 0.0 109.722 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.89 14.22 24.32 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.095 1.758 . . . . 0.0 108.171 168.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -110.57 -2.83 16.25 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.975 2.11 . . . . 0.0 109.16 159.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.4 mt -110.45 -45.2 3.57 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.298 1.839 . . . . 0.0 108.692 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -105.26 -109.67 0.28 Allowed 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.166 1.786 . . . . 0.0 107.967 -177.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -147.05 -62.35 0.29 Allowed 'General case' 0 C--N 1.363 1.182 0 CA-C-N 119.285 0.948 . . . . 0.0 109.241 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 p -127.24 127.63 44.73 Favored 'General case' 0 C--N 1.361 1.104 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.263 70.4 m -145.52 136.69 24.83 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 125.287 1.435 . . . . 0.0 108.987 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.03 120.18 40.99 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 176.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.38 154.44 21.05 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -171.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.9 p90 -146.35 172.47 13.45 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 105.118 -2.178 . . . . 0.0 105.118 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -110.36 129.51 55.74 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 126.001 1.721 . . . . 0.0 107.281 -174.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -103.01 -90.07 0.37 Allowed 'General case' 0 C--N 1.364 1.197 0 C-N-CA 125.608 1.563 . . . . 0.0 108.354 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -151.14 -46.77 0.12 Allowed 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -171.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -80.62 -22.58 40.48 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.461 2.705 . . . . 0.0 114.064 -174.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.94 -154.97 26.01 Favored Glycine 0 C--N 1.357 1.722 0 N-CA-C 106.243 -2.743 . . . . 0.0 106.243 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.4 m -88.55 158.03 18.42 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.4 1.88 . . . . 0.0 111.161 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.1 mm -111.37 139.0 37.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 N-CA-C 103.277 -2.86 . . . . 0.0 103.277 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.8 m -130.4 117.08 19.16 Favored 'General case' 0 C--N 1.359 1.006 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -118.37 -154.43 0.56 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.253 1.821 . . . . 0.0 106.753 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.4 t . . . . . 0 C--O 1.259 1.585 0 C-N-CA 125.836 1.654 . . . . 0.0 107.278 172.67 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 121.368 0.604 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -108.73 -49.64 3.13 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.931 2.092 . . . . 0.0 107.992 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.0 p -122.64 178.57 4.94 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 126.239 1.816 . . . . 0.0 107.343 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.6 m -69.65 -27.04 64.7 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 129.169 2.988 . . . . 0.0 114.054 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -90.58 19.55 5.27 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 127.456 2.302 . . . . 0.0 112.81 -176.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -108.45 -6.8 16.0 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.008 2.123 . . . . 0.0 108.634 174.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.0 m -115.24 14.54 16.93 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.239 1.816 . . . . 0.0 110.035 -174.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.7 m0 -98.28 -22.67 16.0 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.39 1.876 . . . . 0.0 109.711 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 t -129.95 62.94 1.55 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -131.45 -50.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.246 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.9 m -109.22 3.55 21.89 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 127.006 2.123 . . . . 0.0 109.71 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -96.16 -30.33 13.57 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 126.966 2.106 . . . . 0.0 108.252 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -84.59 -28.03 26.83 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 128.844 2.857 . . . . 0.0 112.054 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.8 mt -101.99 -51.27 3.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.554 1.542 . . . . 0.0 110.137 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -106.96 -128.68 0.27 Allowed 'General case' 0 C--N 1.367 1.355 0 C-N-CA 124.873 1.269 . . . . 0.0 108.924 -175.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -151.84 36.74 0.56 Allowed 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.614 1.097 . . . . 0.0 108.593 -167.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.5 p -112.34 -163.98 0.89 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -175.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.9 t -123.73 -104.49 0.37 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.486 1.114 . . . . 0.0 109.496 -166.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HG2' ' H ' ' A' ' 20' ' ' GLY . 62.4 tttt -87.26 179.35 6.64 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 128.872 2.869 . . . . 0.0 111.844 -165.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.416 ' H ' ' HG2' ' A' ' 19' ' ' LYS . . . -174.29 176.9 46.65 Favored Glycine 0 CA--C 1.49 -1.497 0 N-CA-C 108.474 -1.85 . . . . 0.0 108.474 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 36.3 p90 -146.48 170.38 16.98 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 168.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -107.09 123.03 47.64 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 125.243 1.417 . . . . 0.0 108.355 -174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -107.45 175.6 5.44 Favored 'General case' 0 C--N 1.362 1.142 0 N-CA-C 104.994 -2.224 . . . . 0.0 104.994 168.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -90.12 24.74 2.38 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.728 1.611 . . . . 0.0 113.419 -171.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -116.57 -46.55 2.76 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 128.305 2.642 . . . . 0.0 107.715 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.2 -154.14 18.5 Favored Glycine 0 C--N 1.356 1.657 0 N-CA-C 105.75 -2.94 . . . . 0.0 105.75 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.3 m -87.88 145.88 25.84 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.806 1.643 . . . . 0.0 111.515 177.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.0 mm -94.09 135.25 29.02 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 C-N-CA 128.794 2.838 . . . . 0.0 105.711 166.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.8 m -123.57 114.85 20.59 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.198 1.399 . . . . 0.0 107.233 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -112.01 148.37 33.98 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.342 1.857 . . . . 0.0 107.634 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.26 1.609 0 C-N-CA 125.789 1.636 . . . . 0.0 110.616 -178.87 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.399 0.618 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 p -105.55 -63.1 1.28 Allowed 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.576 1.95 . . . . 0.0 106.348 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.0 p -139.18 -150.71 0.34 Allowed 'General case' 0 C--N 1.359 0.983 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.4 p -62.61 -27.2 69.04 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 130.296 3.439 . . . . 0.0 115.277 172.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -80.25 -4.89 55.02 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.048 2.139 . . . . 0.0 115.748 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -103.61 1.28 31.87 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.436 1.894 . . . . 0.0 109.623 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -107.9 10.67 28.46 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 126.532 1.933 . . . . 0.0 109.458 174.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -96.17 -21.77 17.7 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 127.396 2.278 . . . . 0.0 109.76 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 t -131.65 68.61 1.49 Allowed 'General case' 0 C--N 1.356 0.886 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -142.88 -52.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -174.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.2 m -107.51 5.25 26.96 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.36 2.264 . . . . 0.0 109.592 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -93.65 -29.81 15.25 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 127.617 2.367 . . . . 0.0 108.448 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -97.42 -4.09 38.91 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 128.217 2.607 . . . . 0.0 111.789 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tt -115.36 -55.65 2.43 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.497 1.519 . . . . 0.0 107.426 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -106.88 -124.95 0.24 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.726 1.61 . . . . 0.0 108.25 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -154.17 37.96 0.44 Allowed 'General case' 0 C--N 1.365 1.27 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.8 p -112.18 -165.15 0.97 Allowed 'General case' 0 C--N 1.361 1.093 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -173.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -125.88 -105.36 0.34 Allowed 'General case' 0 C--N 1.354 0.8 0 C-N-CA 124.347 1.059 . . . . 0.0 108.938 -165.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HG2' ' H ' ' A' ' 20' ' ' GLY . 52.6 tttt -85.12 -178.32 6.76 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.729 2.812 . . . . 0.0 112.525 -164.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.48 ' H ' ' HG2' ' A' ' 19' ' ' LYS . . . -178.27 178.27 48.55 Favored Glycine 0 CA--C 1.491 -1.464 0 N-CA-C 108.286 -1.926 . . . . 0.0 108.286 -175.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.6 p90 -150.23 160.73 43.47 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 104.639 -2.356 . . . . 0.0 104.639 169.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.9 t -106.71 121.85 45.18 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.826 0.851 . . . . 0.0 109.515 -174.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -105.91 177.98 4.7 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.103 2.161 . . . . 0.0 105.712 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -89.82 17.45 6.65 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 125.655 1.582 . . . . 0.0 113.345 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.31 -16.39 12.01 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.905 2.482 . . . . 0.0 109.957 174.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.48 -161.5 27.97 Favored Glycine 0 C--N 1.364 2.089 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.9 m -90.31 135.62 33.56 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.102 1.761 . . . . 0.0 110.423 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.4 mm -84.95 138.22 19.46 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 C-N-CA 128.618 2.767 . . . . 0.0 107.102 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.3 m -126.21 113.61 17.22 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -112.3 148.57 33.92 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.379 1.872 . . . . 0.0 107.503 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.26 1.63 0 C-N-CA 125.64 1.576 . . . . 0.0 110.72 -178.413 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.398 0.618 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 t -157.54 31.98 0.27 Allowed 'General case' 0 C--N 1.358 0.966 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.2 p -111.47 -116.97 0.31 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.299 1.839 . . . . 0.0 107.171 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.1 m -160.91 -48.77 0.05 OUTLIER 'General case' 0 C--N 1.356 0.861 0 N-CA-C 104.437 -2.431 . . . . 0.0 104.437 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -91.85 47.26 1.33 Allowed 'General case' 0 C--N 1.37 1.475 0 C-N-CA 127.701 2.4 . . . . 0.0 111.138 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -129.93 17.66 5.64 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 163.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -147.73 24.97 1.07 Allowed 'General case' 0 C--N 1.365 1.255 0 C-N-CA 126.532 1.933 . . . . 0.0 108.057 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -95.7 130.42 42.6 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 120.524 -1.36 . . . . 0.0 108.512 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m 70.0 51.66 0.41 Allowed 'General case' 0 C--N 1.368 1.398 0 C-N-CA 128.039 2.536 . . . . 0.0 112.177 -176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.02 -59.17 3.38 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 C-N-CA 126.256 1.822 . . . . 0.0 109.087 -170.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.7 m -110.35 -0.84 17.46 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 127.834 2.454 . . . . 0.0 109.127 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -90.16 -28.94 18.59 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 127.755 2.422 . . . . 0.0 109.429 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -89.04 -25.74 21.79 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 128.462 2.705 . . . . 0.0 111.652 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -110.27 -60.09 1.85 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 125.369 1.467 . . . . 0.0 111.089 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -101.16 -2.82 30.39 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.083 1.353 . . . . 0.0 113.681 -167.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 m120 79.14 31.1 0.3 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 127.743 2.417 . . . . 0.0 114.826 169.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 31' ' ' SER . 75.2 p -110.8 -160.91 0.73 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.107 1.763 . . . . 0.0 107.102 -172.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.5 m -108.85 -112.55 0.3 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.344 1.058 . . . . 0.0 110.846 -172.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -77.83 138.5 38.98 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 126.542 1.937 . . . . 0.0 114.889 -164.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.97 129.82 6.68 Favored Glycine 0 C--N 1.356 1.655 0 N-CA-C 106.411 -2.676 . . . . 0.0 106.411 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -135.86 166.66 22.79 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.1 m -100.28 142.68 31.42 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.817 1.647 . . . . 0.0 108.377 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -107.72 -83.69 0.54 Allowed 'General case' 0 C--N 1.359 1.019 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 169.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -149.19 -48.62 0.14 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 2.3 mpt_? -80.83 -36.96 30.86 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 128.636 2.774 . . . . 0.0 113.512 -169.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.57 -151.34 9.12 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.464 -2.254 . . . . 0.0 107.464 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.2 m -94.92 156.16 16.45 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.711 2.004 . . . . 0.0 110.493 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.4 mm -117.52 105.3 17.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.046 0 N-CA-C 104.605 -2.368 . . . . 0.0 104.605 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 62.1 m -104.17 100.72 10.46 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 125.633 1.573 . . . . 0.0 109.337 -170.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -115.98 153.75 31.06 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 125.528 1.531 . . . . 0.0 108.532 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.405 ' HA ' ' HB ' ' A' ' 17' ' ' THR . 44.9 m . . . . . 0 C--O 1.26 1.611 0 C-N-CA 126.241 1.816 . . . . 0.0 110.891 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.442 0.639 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 p -104.42 -51.93 3.01 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.935 2.094 . . . . 0.0 109.103 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.9 p -128.11 178.19 6.39 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.862 1.665 . . . . 0.0 107.368 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.1 t -70.07 -33.29 71.73 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.781 3.232 . . . . 0.0 111.477 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.29 17.72 7.98 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.951 2.501 . . . . 0.0 112.52 -177.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -97.95 -25.66 14.91 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.712 2.405 . . . . 0.0 107.427 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -100.58 9.78 42.05 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 127.224 2.21 . . . . 0.0 111.66 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -93.0 -17.63 23.68 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.462 1.905 . . . . 0.0 110.832 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 p -136.47 61.23 1.64 Allowed 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.443 1.497 . . . . 0.0 107.191 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -128.47 -48.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.254 0 C-N-CA 124.48 1.112 . . . . 0.0 109.082 -174.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -106.82 3.46 26.45 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 126.16 1.784 . . . . 0.0 110.772 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.11 8.38 15.65 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.048 1.339 . . . . 0.0 109.409 171.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -100.69 -30.96 11.45 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 128.525 2.73 . . . . 0.0 108.12 168.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp -101.76 -59.57 1.68 Allowed 'General case' 0 C--N 1.367 1.33 0 C-N-CA 127.041 2.136 . . . . 0.0 109.466 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -98.55 -91.36 0.27 Allowed 'General case' 0 C--N 1.367 1.338 0 C-N-CA 124.976 1.31 . . . . 0.0 111.914 -168.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -149.48 -59.59 0.21 Allowed 'General case' 0 C--N 1.365 1.268 0 CA-C-N 118.923 0.783 . . . . 0.0 112.16 -173.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.5 p -133.16 138.64 46.68 Favored 'General case' 0 C--N 1.366 1.293 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -171.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 t -150.09 121.18 7.73 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.973 1.309 . . . . 0.0 109.8 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.64 84.17 2.07 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 103.508 -2.775 . . . . 0.0 103.508 165.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.51 -177.11 26.13 Favored Glycine 0 C--N 1.357 1.716 0 C-N-CA 125.289 1.423 . . . . 0.0 113.558 -168.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 36.6 p90 -150.38 168.76 23.18 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 169.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -111.11 121.5 45.49 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 126.562 1.945 . . . . 0.0 106.129 -175.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.94 -90.0 0.34 Allowed 'General case' 0 C--N 1.365 1.243 0 C-N-CA 125.031 1.332 . . . . 0.0 109.446 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -142.8 -47.99 0.33 Allowed 'General case' 0 C--N 1.358 0.963 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -170.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -86.24 -31.02 21.9 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.229 2.212 . . . . 0.0 112.405 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.01 -154.39 23.27 Favored Glycine 0 CA--C 1.487 -1.681 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.5 m -85.66 157.99 20.19 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 126.756 2.022 . . . . 0.0 111.411 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.4 mm -114.85 141.6 30.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.6 m -127.78 114.51 17.35 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 -178.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -116.74 -165.79 1.1 Allowed 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.814 1.646 . . . . 0.0 106.911 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.261 1.665 0 C-N-CA 124.857 1.263 . . . . 0.0 108.951 176.037 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.63 0.728 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 p -114.66 -54.37 2.58 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.55 1.94 . . . . 0.0 105.794 165.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -139.19 -164.32 1.64 Allowed 'General case' 0 C--N 1.362 1.113 0 N-CA-C 106.182 -1.785 . . . . 0.0 106.182 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.0 p -64.6 -28.37 69.58 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 130.883 3.673 . . . . 0.0 114.214 169.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -86.35 2.21 48.29 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 128.056 2.543 . . . . 0.0 113.488 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -104.77 -6.76 20.02 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 126.903 2.081 . . . . 0.0 109.127 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 70.4 m -102.25 10.95 38.89 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 126.54 1.936 . . . . 0.0 110.126 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -96.4 -22.05 17.39 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.454 2.301 . . . . 0.0 109.187 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 p -128.66 65.76 1.42 Allowed 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.498 1.919 . . . . 0.0 106.364 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 p -140.62 -53.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.248 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m -106.03 6.13 30.92 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.245 2.218 . . . . 0.0 109.779 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -95.8 -32.44 12.69 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 127.095 2.158 . . . . 0.0 108.399 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -90.85 -12.0 37.59 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 128.181 2.592 . . . . 0.0 112.16 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 98.6 mt -110.97 -54.17 2.63 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 125.547 1.539 . . . . 0.0 108.981 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -105.44 -118.61 0.23 Allowed 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.008 1.323 . . . . 0.0 109.465 -173.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -163.98 42.45 0.1 Allowed 'General case' 0 C--N 1.363 1.177 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -169.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.9 p -121.44 -171.15 2.16 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.6 m -118.39 -105.83 0.39 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 124.878 1.271 . . . . 0.0 109.744 -168.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 mmtm -83.09 -174.94 5.58 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.588 2.755 . . . . 0.0 113.587 -166.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 177.68 177.13 46.26 Favored Glycine 0 CA--C 1.49 -1.51 0 N-CA-C 107.846 -2.102 . . . . 0.0 107.846 -173.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 31.5 p90 -148.77 164.21 35.07 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 168.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.2 t -110.43 122.52 47.92 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.371 0.668 . . . . 0.0 109.319 -174.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -106.0 -179.7 4.02 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.248 2.219 . . . . 0.0 105.697 169.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -86.76 14.63 6.8 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 126.112 1.765 . . . . 0.0 113.735 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -100.27 -46.76 5.17 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 128.499 2.72 . . . . 0.0 108.673 175.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.4 -152.1 20.38 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 105.821 -2.912 . . . . 0.0 105.821 -175.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.2 m -89.52 141.89 28.17 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.837 1.655 . . . . 0.0 110.905 174.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -89.27 138.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.152 0 C-N-CA 128.616 2.766 . . . . 0.0 106.345 165.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.8 m -125.2 115.91 21.17 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -113.84 148.92 35.81 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.446 1.898 . . . . 0.0 107.255 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.26 1.611 0 C-N-CA 125.649 1.58 . . . . 0.0 110.687 -179.022 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.74 0.781 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -144.83 -30.08 0.45 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.8 p -124.3 166.12 16.47 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 126.078 1.751 . . . . 0.0 107.001 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.6 m -72.39 -27.62 62.48 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 128.951 2.9 . . . . 0.0 112.8 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -88.17 10.6 18.84 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 128.304 2.642 . . . . 0.0 113.111 -176.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -98.37 -23.3 15.66 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 127.717 2.407 . . . . 0.0 107.834 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.3 m -99.27 10.79 40.73 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.245 2.218 . . . . 0.0 111.536 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -93.31 -18.5 22.38 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.68 1.992 . . . . 0.0 110.541 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -133.27 74.43 1.56 Allowed 'General case' 0 C--N 1.357 0.9 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 175.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.7 p -139.06 -50.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.399 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.8 m -104.3 4.71 33.95 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 126.321 1.848 . . . . 0.0 110.912 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.13 6.44 15.12 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.089 1.356 . . . . 0.0 109.422 170.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -100.83 -28.55 12.73 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.072 2.549 . . . . 0.0 107.758 168.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mp -99.54 -62.37 1.25 Allowed 'General case' 0 C--N 1.368 1.381 0 C-N-CA 127.214 2.205 . . . . 0.0 109.554 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -97.69 -91.7 0.25 Allowed 'General case' 0 C--N 1.366 1.305 0 C-N-CA 125.063 1.345 . . . . 0.0 112.058 -167.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -148.27 -60.2 0.25 Allowed 'General case' 0 C--N 1.365 1.279 0 CA-C-N 119.085 0.857 . . . . 0.0 112.19 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -135.12 136.18 41.73 Favored 'General case' 0 C--N 1.365 1.256 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -146.21 126.22 13.69 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 125.254 1.422 . . . . 0.0 109.588 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -139.32 91.03 2.47 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 164.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.09 -175.14 22.77 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 124.992 1.282 . . . . 0.0 113.029 -169.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -150.51 167.29 27.63 Favored 'General case' 0 N--CA 1.433 -1.294 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 169.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.4 t -109.35 121.85 46.09 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 126.065 1.746 . . . . 0.0 106.387 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -99.52 -87.52 0.36 Allowed 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.021 1.328 . . . . 0.0 109.684 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -141.88 -49.36 0.38 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -91.62 -27.65 18.0 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.243 2.217 . . . . 0.0 112.155 -170.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.57 -154.53 23.17 Favored Glycine 0 C--N 1.357 1.705 0 N-CA-C 107.569 -2.212 . . . . 0.0 107.569 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.8 m -87.05 158.69 19.16 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 126.94 2.096 . . . . 0.0 111.365 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 mm -114.92 144.21 22.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 N-CA-C 102.785 -3.043 . . . . 0.0 102.785 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 96.2 m -129.66 116.87 19.47 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -114.04 150.75 33.5 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 125.427 1.491 . . . . 0.0 107.635 176.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.26 1.616 0 C-N-CA 124.91 1.284 . . . . 0.0 109.18 179.848 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 121.2 0.524 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.4 p -114.91 -38.95 3.78 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.252 1.821 . . . . 0.0 110.08 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.7 p -123.07 -78.36 0.6 Allowed 'General case' 0 C--N 1.364 1.223 0 C-N-CA 124.419 1.088 . . . . 0.0 110.592 -168.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -177.38 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.357 0.908 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 -162.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -73.77 -11.68 60.46 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 128.892 2.877 . . . . 0.0 114.998 -172.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -94.88 0.08 54.47 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 126.902 2.081 . . . . 0.0 110.182 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.9 m -114.46 15.92 17.8 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.193 2.197 . . . . 0.0 108.56 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -107.24 134.24 50.62 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 169.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m 73.76 46.19 0.21 Allowed 'General case' 0 C--N 1.363 1.193 0 C-N-CA 126.779 2.032 . . . . 0.0 111.933 -176.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.5 -49.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.363 1.19 0 C-N-CA 126.122 1.769 . . . . 0.0 108.273 -171.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.1 m -116.12 2.75 13.43 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 128.134 2.574 . . . . 0.0 108.784 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.501 ' HG3' ' H ' ' A' ' 18' ' ' SER . 6.0 tt0 -103.51 -36.04 8.11 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.579 2.352 . . . . 0.0 107.987 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -80.69 -20.29 43.24 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 129.019 2.927 . . . . 0.0 112.526 170.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.4 tp -94.82 -51.04 4.87 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 126.212 1.805 . . . . 0.0 110.492 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -100.1 -90.55 0.31 Allowed 'General case' 0 C--N 1.367 1.347 0 C-N-CA 125.325 1.45 . . . . 0.0 108.83 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.53 -53.22 0.04 OUTLIER 'General case' 0 C--N 1.363 1.174 0 CA-C-N 119.053 0.842 . . . . 0.0 112.258 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 p -121.68 127.54 50.88 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.501 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.252 5.6 t -164.33 136.55 4.75 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 124.965 1.306 . . . . 0.0 112.577 174.158 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -118.39 159.31 23.67 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 103.951 -2.611 . . . . 0.0 103.951 160.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.97 167.11 33.2 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 -173.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -140.58 172.66 12.4 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 169.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.6 t -110.38 127.75 55.23 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.853 1.661 . . . . 0.0 107.639 -173.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -101.89 -9.93 20.29 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.196 1.798 . . . . 0.0 109.816 173.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.287 72.8 m80 79.97 8.44 1.54 Allowed 'General case' 0 C--N 1.367 1.36 0 C-N-CA 129.519 3.127 . . . . 0.0 114.112 175.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -104.87 -23.09 13.06 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 128.529 2.732 . . . . 0.0 107.856 171.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.23 -160.92 31.71 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 104.827 -3.309 . . . . 0.0 104.827 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.9 m -104.52 162.91 12.85 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.9 1.68 . . . . 0.0 108.854 175.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.1 mm -114.88 138.78 43.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.0 m -124.83 121.11 33.64 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 124.807 1.243 . . . . 0.0 108.469 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -102.66 -176.51 3.12 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 127.763 2.425 . . . . 0.0 107.528 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--O 1.26 1.625 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 173.08 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.699 0.762 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.41 ' H ' ' H ' ' A' ' 3' ' ' THR . 14.9 t -145.36 -29.64 0.43 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 176.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.41 ' H ' ' H ' ' A' ' 2' ' ' THR . 17.4 p -127.4 167.14 16.63 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 125.61 1.564 . . . . 0.0 107.452 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 t -70.63 -31.5 68.47 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 129.869 3.268 . . . . 0.0 112.372 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -91.55 12.39 21.04 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 127.289 2.235 . . . . 0.0 112.896 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -111.61 8.44 20.88 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.302 2.241 . . . . 0.0 107.59 170.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.8 m -124.22 18.15 9.1 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 127.157 2.183 . . . . 0.0 107.78 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.7 m0 -106.28 131.8 53.08 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 169.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.361 46.3 p 73.28 44.88 0.3 Allowed 'General case' 0 C--N 1.362 1.139 0 C-N-CA 128.473 2.709 . . . . 0.0 112.527 -174.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.69 -48.42 4.96 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 126.279 1.832 . . . . 0.0 108.397 -171.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.3 m -116.96 0.28 12.39 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.339 2.256 . . . . 0.0 108.683 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -97.55 -21.38 17.12 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.502 1.921 . . . . 0.0 108.329 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -80.88 -39.21 26.74 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 129.083 2.953 . . . . 0.0 111.454 172.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.6 mt -97.85 -48.14 5.3 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.662 1.585 . . . . 0.0 111.408 -172.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -108.06 -112.23 0.3 Allowed 'General case' 0 C--N 1.364 1.218 0 C-N-CA 125.177 1.391 . . . . 0.0 109.722 -175.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -167.12 48.67 0.06 Allowed 'General case' 0 C--N 1.365 1.243 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -166.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 p -111.12 -152.44 0.5 Allowed 'General case' 0 C--N 1.361 1.089 0 O-C-N 120.912 -1.118 . . . . 0.0 109.944 -169.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.4 t -147.04 -91.44 0.09 Allowed 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -88.58 148.06 24.28 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 127.895 2.478 . . . . 0.0 112.137 -167.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.42 156.07 26.49 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.733 -2.147 . . . . 0.0 107.733 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -144.14 172.47 12.85 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 172.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -110.97 126.62 54.96 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 126.117 1.767 . . . . 0.0 106.969 -174.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -101.28 -89.18 0.36 Allowed 'General case' 0 C--N 1.364 1.239 0 C-N-CA 125.745 1.618 . . . . 0.0 108.602 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -153.75 -48.14 0.09 Allowed 'General case' 0 C--N 1.357 0.912 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 -171.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -78.52 -23.71 46.14 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 128.57 2.748 . . . . 0.0 114.137 -175.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.5 -153.53 24.44 Favored Glycine 0 C--N 1.357 1.734 0 N-CA-C 106.622 -2.591 . . . . 0.0 106.622 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.3 m -91.39 160.07 15.66 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 126.65 1.98 . . . . 0.0 110.802 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -115.1 139.98 38.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 C-N-CA 128.557 2.743 . . . . 0.0 103.845 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.5 m -130.49 117.4 19.56 Favored 'General case' 0 C--N 1.361 1.074 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -107.22 21.52 17.39 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 125.906 1.683 . . . . 0.0 113.895 -167.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.6 m . . . . . 0 C--O 1.26 1.628 0 C-N-CA 127.337 2.255 . . . . 0.0 114.616 172.596 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 121.633 0.73 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -142.49 -39.87 0.35 Allowed 'General case' 0 C--N 1.356 0.891 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 162.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -140.68 -168.35 2.56 Favored 'General case' 0 C--N 1.363 1.186 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.6 t -58.6 -35.25 72.15 Favored 'General case' 0 C--N 1.365 1.257 1 C-N-CA 132.081 4.152 . . . . 0.0 115.56 178.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -89.75 14.26 12.28 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 126.664 1.985 . . . . 0.0 114.986 -168.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -109.43 5.54 23.47 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.175 2.19 . . . . 0.0 107.687 173.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.7 m -120.15 9.37 11.11 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.376 1.871 . . . . 0.0 109.031 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -91.71 -25.72 18.96 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.435 1.894 . . . . 0.0 111.075 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 t -131.74 60.27 1.68 Allowed 'General case' 0 C--N 1.359 1.021 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.9 p -124.98 -46.32 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.239 0 C-N-CA 125.022 1.329 . . . . 0.0 109.184 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.1 m -115.61 -0.81 12.89 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.41 2.284 . . . . 0.0 109.09 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.622 ' HG3' ' H ' ' A' ' 18' ' ' SER . 4.5 tt0 -97.88 -31.28 12.28 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 128.166 2.586 . . . . 0.0 108.594 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 tmt_? -78.32 -28.62 47.39 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 129.327 3.051 . . . . 0.0 112.312 170.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.67 -49.3 6.36 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.56 1.944 . . . . 0.0 111.106 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -99.13 -93.34 0.26 Allowed 'General case' 0 C--N 1.365 1.241 0 C-N-CA 125.153 1.381 . . . . 0.0 108.845 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -159.94 -57.42 0.06 Allowed 'General case' 0 C--N 1.365 1.25 0 CA-C-N 119.863 1.21 . . . . 0.0 111.113 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.2 p -123.04 122.0 37.43 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.622 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.27 69.0 m -153.78 144.45 22.53 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 125.951 1.701 . . . . 0.0 111.926 173.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -135.57 134.13 39.06 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 102.761 -3.051 . . . . 0.0 102.761 173.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.72 -179.44 16.98 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-O 122.026 0.792 . . . . 0.0 111.183 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.7 p90 -150.09 167.1 27.76 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 104.325 -2.472 . . . . 0.0 104.325 168.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.4 t -116.29 124.4 50.06 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 106.887 -1.524 . . . . 0.0 106.887 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -98.73 -88.34 0.33 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.787 1.635 . . . . 0.0 109.726 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -140.33 -48.31 0.44 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -170.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -87.53 -29.74 21.1 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 127.196 2.199 . . . . 0.0 112.623 -171.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.98 -153.89 23.46 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 107.353 -2.299 . . . . 0.0 107.353 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.2 m -85.86 153.51 22.18 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 126.796 2.038 . . . . 0.0 111.85 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -113.21 136.11 50.6 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 N-CA-C 103.016 -2.957 . . . . 0.0 103.016 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.7 m -124.24 116.43 22.67 Favored 'General case' 0 C--N 1.359 1.006 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -111.28 -154.35 0.54 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.217 1.807 . . . . 0.0 107.081 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--O 1.261 1.691 0 C-N-CA 125.414 1.485 . . . . 0.0 108.245 172.654 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.407 0.623 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -141.35 -33.2 0.52 Allowed 'General case' 0 C--N 1.359 1.013 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 p -133.62 173.61 11.32 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.1 p -73.75 -24.75 59.92 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.269 2.628 . . . . 0.0 112.54 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -84.72 -9.26 58.39 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 128.651 2.78 . . . . 0.0 112.067 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -91.76 -7.16 50.44 Favored 'General case' 0 C--N 1.368 1.376 0 C-N-CA 127.525 2.33 . . . . 0.0 110.036 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.1 m -113.16 25.44 11.36 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 127.009 2.124 . . . . 0.0 109.575 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -108.77 130.69 55.38 Favored 'General case' 0 C--N 1.361 1.073 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 170.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.44 ' H ' HE21 ' A' ' 12' ' ' GLN . 5.5 t 80.8 49.58 0.02 OUTLIER 'General case' 0 C--N 1.366 1.295 0 C-N-CA 128.753 2.821 . . . . 0.0 109.569 -172.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.08 -59.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.364 1.223 0 C-N-CA 125.86 1.664 . . . . 0.0 108.713 -171.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.0 m -117.93 7.93 12.45 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 127.313 2.245 . . . . 0.0 108.833 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.44 HE21 ' H ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -110.04 10.45 24.11 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 126.567 1.947 . . . . 0.0 107.76 165.345 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -106.6 -10.86 16.04 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 127.385 2.274 . . . . 0.0 108.604 164.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.1 mt -107.78 -48.51 3.39 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.486 1.914 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -100.99 -95.3 0.27 Allowed 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.537 1.535 . . . . 0.0 109.448 -174.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -160.65 -60.67 0.06 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.2 p -127.04 130.0 49.13 Favored 'General case' 0 C--N 1.361 1.072 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.269 3.9 t -153.57 147.2 25.13 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 124.502 1.121 . . . . 0.0 108.895 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -118.68 126.09 51.13 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 170.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.46 146.98 17.25 Favored Glycine 0 C--N 1.357 1.739 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 45.8 p90 -138.48 166.23 24.81 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -109.73 125.31 52.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.855 1.662 . . . . 0.0 108.248 -172.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -103.03 -7.8 21.1 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.528 1.931 . . . . 0.0 109.675 173.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.289 72.5 m80 80.86 15.64 0.62 Allowed 'General case' 0 C--N 1.367 1.349 0 C-N-CA 129.889 3.276 . . . . 0.0 113.521 176.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -113.31 -10.5 13.3 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.942 2.497 . . . . 0.0 108.416 169.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.36 -165.75 31.45 Favored Glycine 0 C--N 1.359 1.832 0 N-CA-C 105.674 -2.971 . . . . 0.0 105.674 -176.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 79.5 m -104.79 154.28 20.22 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 126.036 1.734 . . . . 0.0 107.845 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.3 mm -113.32 110.39 32.02 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 C-N-CA 126.35 1.86 . . . . 0.0 106.322 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.4 m -105.2 109.49 21.49 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 124.974 1.309 . . . . 0.0 108.87 -176.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -116.93 18.1 14.81 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 124.792 1.237 . . . . 0.0 111.339 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.258 1.545 0 C-N-CA 127.747 2.419 . . . . 0.0 113.072 175.237 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.532 0.682 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -151.82 -10.37 0.2 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 124.528 1.131 . . . . 0.0 108.116 174.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 p -112.22 -98.19 0.42 Allowed 'General case' 0 C--N 1.366 1.295 0 C-N-CA 125.413 1.485 . . . . 0.0 110.055 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 t -179.4 -44.31 0.01 OUTLIER 'General case' 0 C--N 1.357 0.898 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 -168.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -73.18 -12.15 60.78 Favored 'General case' 0 C--N 1.371 1.518 0 C-N-CA 129.711 3.204 . . . . 0.0 114.597 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -94.88 14.72 20.63 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 126.992 2.117 . . . . 0.0 111.132 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.1 m -129.02 10.51 5.9 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.092 1.757 . . . . 0.0 108.916 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -91.86 -26.16 18.62 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 125.513 1.525 . . . . 0.0 111.866 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 p -126.35 44.84 2.78 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.57 1.548 . . . . 0.0 107.928 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.78 -40.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 126.799 2.04 . . . . 0.0 108.511 -176.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.8 m -102.22 1.01 35.42 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.391 1.876 . . . . 0.0 111.491 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -95.83 -13.74 23.79 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 125.932 1.693 . . . . 0.0 109.293 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -98.04 -31.95 11.88 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 128.969 2.907 . . . . 0.0 109.876 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -117.44 -57.54 2.13 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 125.128 1.371 . . . . 0.0 110.792 -170.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -102.01 -5.35 24.71 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -159.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.4 t30 78.82 21.84 0.69 Allowed 'General case' 0 C--N 1.369 1.452 0 C-N-CA 127.639 2.376 . . . . 0.0 114.072 170.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 p -116.81 -157.32 0.65 Allowed 'General case' 0 C--N 1.357 0.917 0 C-N-CA 128.038 2.535 . . . . 0.0 105.458 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.3 m -115.36 -110.12 0.36 Allowed 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.707 1.203 . . . . 0.0 110.752 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -77.88 -169.81 1.67 Allowed 'General case' 0 C--N 1.359 1.017 0 C-N-CA 128.512 2.725 . . . . 0.0 115.129 -165.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.85 -177.79 43.31 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 26.8 p90 -150.92 173.85 13.8 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 165.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.8 t -109.6 129.83 55.55 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.261 1.425 . . . . 0.0 107.287 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -99.94 -89.57 0.33 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.635 1.574 . . . . 0.0 108.562 177.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -151.96 -45.94 0.11 Allowed 'General case' 0 C--N 1.358 0.944 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -74.22 -34.49 63.7 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 128.623 2.769 . . . . 0.0 113.536 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.95 -150.7 15.26 Favored Glycine 0 CA--C 1.487 -1.658 0 N-CA-C 106.404 -2.678 . . . . 0.0 106.404 -176.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.3 m -89.36 159.41 17.36 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.756 2.022 . . . . 0.0 111.286 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.9 mm -113.16 145.76 18.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 C-N-CA 128.964 2.906 . . . . 0.0 103.656 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.4 m -113.58 124.19 51.76 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 125.257 1.423 . . . . 0.0 107.193 175.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -119.04 151.99 37.25 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 169.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.26 1.644 0 C-N-CA 125.373 1.469 . . . . 0.0 108.438 178.514 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.662 0.744 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -143.5 -34.2 0.41 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 106.282 -1.748 . . . . 0.0 106.282 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.5 p -131.14 174.51 9.96 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 125.93 1.692 . . . . 0.0 106.564 -178.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -71.35 -25.51 62.42 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 129.524 3.13 . . . . 0.0 113.069 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -86.18 2.89 45.2 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.746 2.418 . . . . 0.0 113.407 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -104.05 3.47 33.32 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.151 2.18 . . . . 0.0 109.023 172.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.6 m -124.97 20.07 8.36 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 126.819 2.048 . . . . 0.0 108.252 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -109.99 129.36 55.68 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 105.615 -1.994 . . . . 0.0 105.615 169.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t 78.59 49.98 0.03 OUTLIER 'General case' 0 C--N 1.365 1.28 0 C-N-CA 127.956 2.502 . . . . 0.0 110.995 -173.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -122.66 -55.56 2.83 Favored 'Isoleucine or valine' 0 C--N 1.364 1.226 0 C-N-CA 125.631 1.572 . . . . 0.0 107.711 -173.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.2 m -115.56 -0.01 13.18 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 127.976 2.51 . . . . 0.0 108.209 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.491 ' HG3' ' H ' ' A' ' 18' ' ' SER . 43.5 tt0 -98.47 -19.21 17.8 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.801 2.44 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -80.14 -39.15 30.01 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 129.878 3.271 . . . . 0.0 112.239 167.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.5 mt -95.15 -53.92 3.62 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 125.748 1.619 . . . . 0.0 112.175 -170.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -99.62 -3.12 33.88 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 125.668 1.587 . . . . 0.0 111.298 -174.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.319 71.9 m-20 91.31 -28.43 0.04 OUTLIER 'General case' 0 C--N 1.365 1.272 0 C-N-CA 128.692 2.797 . . . . 0.0 115.055 163.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.7 p -131.12 128.04 39.32 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 174.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.491 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.276 6.2 t -163.33 141.55 7.94 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 125.004 1.322 . . . . 0.0 111.394 172.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -117.19 123.12 45.89 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 163.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.36 154.77 20.5 Favored Glycine 0 CA--C 1.488 -1.611 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.6 p90 -142.68 169.54 17.38 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 t -108.43 125.04 51.32 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.016 1.726 . . . . 0.0 107.354 -173.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -98.85 -88.63 0.32 Allowed 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.603 1.561 . . . . 0.0 108.992 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -146.79 -50.1 0.2 Allowed 'General case' 0 C--N 1.359 0.98 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -172.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -87.02 -27.11 23.4 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.358 2.263 . . . . 0.0 112.72 -172.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.1 -154.19 21.06 Favored Glycine 0 C--N 1.356 1.68 0 N-CA-C 107.438 -2.265 . . . . 0.0 107.438 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 99.7 m -91.01 160.58 15.54 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 126.701 2.0 . . . . 0.0 111.171 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.1 mm -113.12 142.05 26.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 103.299 -2.852 . . . . 0.0 103.299 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -128.8 119.45 24.54 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -118.05 -154.65 0.57 Allowed 'General case' 0 C--N 1.362 1.135 0 C-N-CA 126.478 1.911 . . . . 0.0 106.815 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 C--O 1.26 1.624 0 C-N-CA 125.799 1.639 . . . . 0.0 107.811 171.138 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 121.662 0.744 . . . . 0.0 111.826 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -144.36 -31.5 0.44 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.9 p -126.66 167.25 15.95 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 125.957 1.703 . . . . 0.0 106.946 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -71.86 -27.41 62.85 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 128.887 2.875 . . . . 0.0 112.828 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -87.01 5.45 37.36 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 128.062 2.545 . . . . 0.0 113.104 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -99.51 -14.11 19.2 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 127.624 2.37 . . . . 0.0 108.882 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -104.18 13.21 32.76 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.57 1.948 . . . . 0.0 110.838 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -96.06 -23.21 16.9 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.576 1.951 . . . . 0.0 109.862 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 p -129.0 60.94 1.53 Allowed 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.907 1.683 . . . . 0.0 106.674 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -132.51 -50.61 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.269 0 C-N-CA 124.707 1.203 . . . . 0.0 108.069 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.2 m -108.88 1.2 20.67 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.454 2.302 . . . . 0.0 109.773 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -94.33 -29.39 15.06 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.772 2.029 . . . . 0.0 108.474 170.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -82.76 -28.97 30.01 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 129.697 3.199 . . . . 0.0 111.812 176.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.7 tp -101.69 -53.55 2.94 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 125.897 1.679 . . . . 0.0 110.562 -175.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -105.76 -114.6 0.25 Allowed 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.074 1.35 . . . . 0.0 109.756 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -165.88 43.43 0.07 Allowed 'General case' 0 C--N 1.365 1.239 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -168.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.6 p -120.46 -163.63 1.03 Allowed 'General case' 0 C--N 1.36 1.041 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -174.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.7 m -122.28 -107.35 0.35 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.545 1.138 . . . . 0.0 109.533 -170.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mmtp -85.13 -174.7 5.39 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.479 2.712 . . . . 0.0 113.385 -166.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.04 176.18 46.64 Favored Glycine 0 CA--C 1.49 -1.499 0 N-CA-C 108.081 -2.008 . . . . 0.0 108.081 -175.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -146.65 166.27 27.06 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 170.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -104.82 117.2 33.46 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.377 1.471 . . . . 0.0 108.868 -173.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -107.09 179.17 4.34 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 126.948 2.099 . . . . 0.0 105.999 171.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -91.75 21.23 4.92 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.91 1.684 . . . . 0.0 113.173 -176.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -109.46 -27.66 9.33 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 128.374 2.67 . . . . 0.0 109.067 172.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.52 -151.71 23.88 Favored Glycine 0 C--N 1.36 1.875 0 N-CA-C 105.65 -2.98 . . . . 0.0 105.65 -172.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.5 m -87.89 144.93 26.3 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.613 1.565 . . . . 0.0 111.056 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 mm -93.55 138.44 20.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 128.801 2.84 . . . . 0.0 105.497 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.8 m -126.07 114.05 17.89 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 -176.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -112.68 148.01 35.58 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.194 1.798 . . . . 0.0 107.424 176.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.259 1.59 0 C-N-CA 125.661 1.585 . . . . 0.0 108.591 179.446 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 121.469 0.652 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -148.76 -43.67 0.15 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 170.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.7 m -121.08 -80.85 0.63 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 125.353 1.461 . . . . 0.0 109.016 -168.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.5 m -173.63 -39.4 0.01 OUTLIER 'General case' 0 C--N 1.36 1.032 0 C-N-CA 126.03 1.732 . . . . 0.0 107.811 -158.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -83.08 8.8 11.91 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 127.268 2.227 . . . . 0.0 114.313 -171.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -108.69 1.87 21.49 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 128.223 2.609 . . . . 0.0 107.859 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -116.17 20.64 14.22 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 127.334 2.254 . . . . 0.0 107.906 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -110.01 127.94 55.11 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 172.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t 76.88 46.73 0.08 Allowed 'General case' 0 C--N 1.363 1.189 0 C-N-CA 127.857 2.463 . . . . 0.0 111.803 -171.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.4 p -123.05 -50.91 2.65 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 C-N-CA 125.424 1.49 . . . . 0.0 107.692 -174.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.2 m -112.76 0.77 15.38 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 127.411 2.285 . . . . 0.0 108.936 176.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -95.81 -22.13 17.68 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 127.306 2.242 . . . . 0.0 109.044 177.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 -31.29 21.24 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 128.272 2.629 . . . . 0.0 110.746 175.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -104.26 -63.45 1.2 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 125.476 1.51 . . . . 0.0 111.628 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -101.73 -0.93 33.59 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.118 1.367 . . . . 0.0 114.529 -161.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 t30 84.08 29.47 0.07 Allowed 'General case' 0 C--N 1.368 1.393 0 C-N-CA 127.417 2.287 . . . . 0.0 113.971 167.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.411 ' HB ' ' HA ' ' A' ' 31' ' ' SER . 73.2 p -109.74 -160.69 0.73 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 125.456 1.502 . . . . 0.0 107.804 -171.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.0 m -112.61 -109.13 0.36 Allowed 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.854 1.262 . . . . 0.0 110.934 -170.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -93.52 -174.03 3.37 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 127.016 2.127 . . . . 0.0 112.704 -165.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.48 167.18 39.35 Favored Glycine 0 CA--C 1.489 -1.548 0 N-CA-C 107.806 -2.117 . . . . 0.0 107.806 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -139.21 174.49 10.46 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 166.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.5 t -121.07 130.02 53.58 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -97.86 -89.24 0.29 Allowed 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.022 1.729 . . . . 0.0 109.335 -177.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -145.58 -49.6 0.23 Allowed 'General case' 0 C--N 1.358 0.961 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -172.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -85.88 -27.16 25.19 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.293 2.237 . . . . 0.0 113.023 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.64 -156.37 25.83 Favored Glycine 0 C--N 1.357 1.738 0 N-CA-C 107.719 -2.152 . . . . 0.0 107.719 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.1 m -88.93 154.32 20.33 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.644 1.978 . . . . 0.0 111.826 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.9 mm -112.13 140.53 31.32 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.4 m -126.27 112.94 16.31 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 124.835 1.254 . . . . 0.0 107.617 -175.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -108.68 152.51 24.72 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.154 1.782 . . . . 0.0 108.538 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.411 ' HA ' ' HB ' ' A' ' 17' ' ' THR . 49.5 m . . . . . 0 C--O 1.26 1.648 0 C-N-CA 126.077 1.751 . . . . 0.0 110.267 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 121.251 0.548 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -147.39 -26.18 0.38 Allowed 'General case' 0 C--N 1.36 1.065 0 C-N-CA 123.795 0.838 . . . . 0.0 109.011 -175.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 p -126.18 -86.16 0.61 Allowed 'General case' 0 C--N 1.363 1.193 0 C-N-CA 124.038 0.935 . . . . 0.0 108.865 -175.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.3 m -166.02 -42.23 0.03 OUTLIER 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.86 1.664 . . . . 0.0 107.072 -170.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -87.8 23.89 1.9 Allowed 'General case' 0 C--N 1.37 1.473 0 C-N-CA 126.598 1.959 . . . . 0.0 114.56 -169.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -113.7 1.73 14.98 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 126.91 2.084 . . . . 0.0 107.274 170.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.2 m -117.79 9.59 13.02 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 127.088 2.155 . . . . 0.0 108.841 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -99.57 129.03 45.7 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.352 81.0 p 64.25 44.51 4.34 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 129.136 2.974 . . . . 0.0 114.88 -174.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.1 p -112.23 -40.98 3.87 Favored 'Isoleucine or valine' 0 C--N 1.363 1.183 0 C-N-CA 126.92 2.088 . . . . 0.0 108.425 -169.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.4 m -107.48 10.55 29.36 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.717 2.007 . . . . 0.0 110.081 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -95.37 -30.22 14.03 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 126.513 1.925 . . . . 0.0 107.977 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -72.28 -28.8 63.34 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 131.162 3.785 . . . . 0.0 112.747 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mp -101.03 -60.58 1.5 Allowed 'General case' 0 C--N 1.366 1.288 0 C-N-CA 126.723 2.009 . . . . 0.0 108.844 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -108.04 -114.74 0.28 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.705 1.602 . . . . 0.0 109.451 -171.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -162.75 43.3 0.12 Allowed 'General case' 0 C--N 1.365 1.267 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.7 p -133.75 127.02 31.9 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 -174.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.0 m -77.89 -90.71 0.04 OUTLIER 'General case' 0 C--N 1.357 0.893 0 C-N-CA 127.887 2.475 . . . . 0.0 116.252 -162.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -83.45 154.56 23.88 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 129.249 3.02 . . . . 0.0 112.027 -164.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.67 178.19 28.26 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -177.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.5 p90 -144.56 171.86 13.78 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 168.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 t -107.75 126.68 52.91 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 125.475 1.51 . . . . 0.0 107.923 -174.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -101.02 -8.78 22.04 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 126.165 1.786 . . . . 0.0 109.771 173.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.294 70.7 m80 80.3 6.85 1.59 Allowed 'General case' 0 C--N 1.368 1.376 0 C-N-CA 129.37 3.068 . . . . 0.0 114.417 172.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -104.6 -23.66 13.08 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 128.286 2.635 . . . . 0.0 107.858 169.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.13 -162.29 31.12 Favored Glycine 0 C--N 1.356 1.693 0 N-CA-C 105.135 -3.186 . . . . 0.0 105.135 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.6 m -101.88 163.51 12.21 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 126.046 1.738 . . . . 0.0 109.42 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.9 mm -112.98 143.48 22.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 103.521 -2.77 . . . . 0.0 103.521 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -131.65 115.86 16.61 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -120.31 149.94 41.5 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.259 1.599 0 C-N-CA 125.158 1.383 . . . . 0.0 111.788 -175.531 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.644 0.735 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -145.54 -29.67 0.43 Allowed 'General case' 0 C--N 1.358 0.939 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.0 p -123.75 161.27 25.52 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 125.71 1.604 . . . . 0.0 107.725 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.6 p -70.79 -31.05 67.7 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 129.279 3.032 . . . . 0.0 113.291 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -90.54 15.11 11.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.836 2.454 . . . . 0.0 113.58 -177.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -113.26 2.39 15.54 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.251 2.221 . . . . 0.0 107.982 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.2 m -117.34 11.62 14.04 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.572 1.949 . . . . 0.0 109.037 175.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -92.65 -23.76 18.88 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 126.419 1.887 . . . . 0.0 111.418 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 p -132.07 57.13 1.79 Allowed 'General case' 0 C--N 1.357 0.933 0 C-N-CA 125.585 1.554 . . . . 0.0 107.198 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.09 -47.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.364 1.221 0 C-N-CA 124.954 1.301 . . . . 0.0 108.932 -174.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.0 m -107.6 -0.73 21.8 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.034 2.133 . . . . 0.0 111.108 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 17.42 21.45 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.87 1.668 . . . . 0.0 108.97 168.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -107.79 -4.08 18.43 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 128.222 2.609 . . . . 0.0 107.79 163.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.5 mt -117.75 -51.71 2.47 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.148 2.179 . . . . 0.0 108.37 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -98.7 -99.19 0.22 Allowed 'General case' 0 C--N 1.366 1.309 0 C-N-CA 126.242 1.817 . . . . 0.0 109.966 -174.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -155.91 -59.41 0.1 Allowed 'General case' 0 C--N 1.366 1.286 0 CA-C-N 119.381 0.992 . . . . 0.0 110.87 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -135.84 127.25 28.53 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 -177.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.3 m -150.25 152.53 34.7 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.85 1.26 . . . . 0.0 110.057 -173.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.15 176.51 7.0 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 168.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.7 175.17 47.2 Favored Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -150.51 169.4 21.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 N-CA-C 104.612 -2.366 . . . . 0.0 104.612 169.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.5 t -105.02 121.77 44.47 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.288 1.435 . . . . 0.0 108.571 -175.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -109.45 178.1 4.54 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 169.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.54 9.59 17.95 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.141 1.777 . . . . 0.0 113.589 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -98.35 -44.04 6.69 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 128.371 2.668 . . . . 0.0 109.097 176.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.8 -152.62 22.35 Favored Glycine 0 C--N 1.353 1.475 0 N-CA-C 105.331 -3.108 . . . . 0.0 105.331 -174.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 m -85.28 142.73 29.17 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 125.806 1.642 . . . . 0.0 110.853 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 mm -91.39 134.64 29.26 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 C-N-CA 128.319 2.648 . . . . 0.0 106.379 168.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.3 m -119.81 124.92 47.31 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 177.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -107.27 37.8 2.29 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 127.709 2.404 . . . . 0.0 109.236 177.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.7 p . . . . . 0 C--O 1.259 1.563 0 C-N-CA 128.921 2.888 . . . . 0.0 113.861 176.365 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 121.386 0.612 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.408 ' H ' ' H ' ' A' ' 3' ' ' THR . 10.8 t -150.96 -18.14 0.21 Allowed 'General case' 0 C--N 1.359 0.989 0 C-N-CA 124.137 0.975 . . . . 0.0 108.393 -177.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.408 ' H ' ' H ' ' A' ' 2' ' ' THR . 21.1 p -107.28 132.92 52.57 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.848 1.659 . . . . 0.0 107.36 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.8 m -62.47 -20.91 65.04 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 129.26 3.024 . . . . 0.0 117.263 -167.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -91.14 22.43 3.77 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 126.899 2.079 . . . . 0.0 112.619 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -116.84 11.63 14.52 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 126.739 2.015 . . . . 0.0 108.514 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.8 m -141.9 29.21 1.7 Allowed 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.664 1.585 . . . . 0.0 108.405 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -101.76 130.05 48.08 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 172.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 m 70.48 47.26 0.51 Allowed 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.477 2.311 . . . . 0.0 112.051 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.0 p -113.9 -46.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.366 1.309 0 C-N-CA 126.342 1.857 . . . . 0.0 109.079 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.0 m -118.7 -2.29 10.97 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 127.161 2.184 . . . . 0.0 108.982 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.93 16.31 21.31 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 126.091 1.756 . . . . 0.0 109.353 170.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.05 -24.14 13.64 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 127.449 2.3 . . . . 0.0 108.45 160.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mp -96.51 -49.16 5.26 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.473 2.309 . . . . 0.0 109.666 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -99.6 -98.87 0.23 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 125.653 1.581 . . . . 0.0 109.366 -175.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -158.61 -58.26 0.07 Allowed 'General case' 0 C--N 1.363 1.17 0 CA-C-N 119.024 0.829 . . . . 0.0 110.919 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 p -130.19 128.32 41.47 Favored 'General case' 0 C--N 1.363 1.194 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.2 m -149.8 144.6 26.11 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 125.627 1.571 . . . . 0.0 108.099 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -120.34 110.53 16.65 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 103.65 -2.722 . . . . 0.0 103.65 172.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.3 145.31 18.68 Favored Glycine 0 C--N 1.356 1.641 0 C-N-CA 124.298 0.951 . . . . 0.0 111.341 -171.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -137.84 174.99 9.98 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 170.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.1 m -110.53 141.64 43.41 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.355 1.862 . . . . 0.0 107.088 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -101.92 -85.89 0.43 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 125.979 1.712 . . . . 0.0 106.802 170.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -152.4 -46.95 0.1 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -82.12 -21.95 36.43 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 128.116 2.566 . . . . 0.0 114.496 -171.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.78 -151.98 19.2 Favored Glycine 0 C--N 1.356 1.676 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 97.8 m -94.66 160.12 14.77 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 126.659 1.984 . . . . 0.0 111.739 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.6 mm -117.89 122.01 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 102.421 -3.177 . . . . 0.0 102.421 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.6 m -114.2 112.76 23.67 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 124.523 1.129 . . . . 0.0 108.056 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -111.41 -157.67 0.62 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 126.048 1.739 . . . . 0.0 107.957 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.261 1.688 0 C-N-CA 125.783 1.633 . . . . 0.0 108.457 174.53 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 121.595 0.712 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -143.54 -34.65 0.4 Allowed 'General case' 0 C--N 1.358 0.941 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -128.51 170.88 12.65 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 125.785 1.634 . . . . 0.0 106.74 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.6 p -72.27 -25.62 61.67 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 128.673 2.789 . . . . 0.0 112.902 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -86.54 0.22 54.77 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.463 2.705 . . . . 0.0 112.714 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -98.75 -8.06 26.64 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 127.731 2.412 . . . . 0.0 108.959 174.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.8 m -114.35 22.07 14.07 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 126.932 2.093 . . . . 0.0 109.275 176.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -107.35 132.86 52.68 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 169.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.575 ' H ' HE21 ' A' ' 12' ' ' GLN . 67.6 m 73.05 55.28 0.12 Allowed 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.421 2.288 . . . . 0.0 110.834 -177.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.08 -54.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.266 0 C-N-CA 125.556 1.542 . . . . 0.0 107.426 -169.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.6 m -113.55 2.99 15.52 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 127.182 2.193 . . . . 0.0 109.722 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.575 HE21 ' H ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -108.89 14.22 24.32 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.095 1.758 . . . . 0.0 108.171 168.267 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -110.57 -2.83 16.25 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.975 2.11 . . . . 0.0 109.16 159.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.4 mt -110.45 -45.2 3.57 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.298 1.839 . . . . 0.0 108.692 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -105.26 -109.67 0.28 Allowed 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.166 1.786 . . . . 0.0 107.967 -177.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -147.05 -62.35 0.29 Allowed 'General case' 0 C--N 1.363 1.182 0 CA-C-N 119.285 0.948 . . . . 0.0 109.241 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 p -127.24 127.63 44.73 Favored 'General case' 0 C--N 1.361 1.104 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.263 70.4 m -145.52 136.69 24.83 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 125.287 1.435 . . . . 0.0 108.987 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.03 120.18 40.99 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 176.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.38 154.44 21.05 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -171.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.9 p90 -146.35 172.47 13.45 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 105.118 -2.178 . . . . 0.0 105.118 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -110.36 129.51 55.74 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 126.001 1.721 . . . . 0.0 107.281 -174.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -103.01 -90.07 0.37 Allowed 'General case' 0 C--N 1.364 1.197 0 C-N-CA 125.608 1.563 . . . . 0.0 108.354 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -151.14 -46.77 0.12 Allowed 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -171.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -80.62 -22.58 40.48 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.461 2.705 . . . . 0.0 114.064 -174.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.94 -154.97 26.01 Favored Glycine 0 C--N 1.357 1.722 0 N-CA-C 106.243 -2.743 . . . . 0.0 106.243 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.4 m -88.55 158.03 18.42 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.4 1.88 . . . . 0.0 111.161 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.1 mm -111.37 139.0 37.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 N-CA-C 103.277 -2.86 . . . . 0.0 103.277 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.8 m -130.4 117.08 19.16 Favored 'General case' 0 C--N 1.359 1.006 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -118.37 -154.43 0.56 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.253 1.821 . . . . 0.0 106.753 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.4 t . . . . . 0 C--O 1.259 1.585 0 C-N-CA 125.836 1.654 . . . . 0.0 107.278 172.67 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 121.368 0.604 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -108.73 -49.64 3.13 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.931 2.092 . . . . 0.0 107.992 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.0 p -122.64 178.57 4.94 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 126.239 1.816 . . . . 0.0 107.343 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.6 m -69.65 -27.04 64.7 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 129.169 2.988 . . . . 0.0 114.054 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -90.58 19.55 5.27 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 127.456 2.302 . . . . 0.0 112.81 -176.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -108.45 -6.8 16.0 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.008 2.123 . . . . 0.0 108.634 174.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.0 m -115.24 14.54 16.93 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.239 1.816 . . . . 0.0 110.035 -174.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.7 m0 -98.28 -22.67 16.0 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.39 1.876 . . . . 0.0 109.711 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 t -129.95 62.94 1.55 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -131.45 -50.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.246 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.9 m -109.22 3.55 21.89 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 127.006 2.123 . . . . 0.0 109.71 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -96.16 -30.33 13.57 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 126.966 2.106 . . . . 0.0 108.252 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -84.59 -28.03 26.83 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 128.844 2.857 . . . . 0.0 112.054 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.8 mt -101.99 -51.27 3.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.554 1.542 . . . . 0.0 110.137 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -106.96 -128.68 0.27 Allowed 'General case' 0 C--N 1.367 1.355 0 C-N-CA 124.873 1.269 . . . . 0.0 108.924 -175.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -151.84 36.74 0.56 Allowed 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.614 1.097 . . . . 0.0 108.593 -167.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.5 p -112.34 -163.98 0.89 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -175.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.9 t -123.73 -104.49 0.37 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.486 1.114 . . . . 0.0 109.496 -166.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HG2' ' H ' ' A' ' 20' ' ' GLY . 62.4 tttt -87.26 179.35 6.64 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 128.872 2.869 . . . . 0.0 111.844 -165.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.416 ' H ' ' HG2' ' A' ' 19' ' ' LYS . . . -174.29 176.9 46.65 Favored Glycine 0 CA--C 1.49 -1.497 0 N-CA-C 108.474 -1.85 . . . . 0.0 108.474 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 36.3 p90 -146.48 170.38 16.98 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 168.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -107.09 123.03 47.64 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 125.243 1.417 . . . . 0.0 108.355 -174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -107.45 175.6 5.44 Favored 'General case' 0 C--N 1.362 1.142 0 N-CA-C 104.994 -2.224 . . . . 0.0 104.994 168.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -90.12 24.74 2.38 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.728 1.611 . . . . 0.0 113.419 -171.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -116.57 -46.55 2.76 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 128.305 2.642 . . . . 0.0 107.715 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.2 -154.14 18.5 Favored Glycine 0 C--N 1.356 1.657 0 N-CA-C 105.75 -2.94 . . . . 0.0 105.75 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.3 m -87.88 145.88 25.84 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.806 1.643 . . . . 0.0 111.515 177.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.0 mm -94.09 135.25 29.02 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 C-N-CA 128.794 2.838 . . . . 0.0 105.711 166.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.8 m -123.57 114.85 20.59 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.198 1.399 . . . . 0.0 107.233 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -112.01 148.37 33.98 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.342 1.857 . . . . 0.0 107.634 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.26 1.609 0 C-N-CA 125.789 1.636 . . . . 0.0 110.616 -178.87 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.399 0.618 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 p -105.55 -63.1 1.28 Allowed 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.576 1.95 . . . . 0.0 106.348 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.0 p -139.18 -150.71 0.34 Allowed 'General case' 0 C--N 1.359 0.983 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.4 p -62.61 -27.2 69.04 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 130.296 3.439 . . . . 0.0 115.277 172.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -80.25 -4.89 55.02 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.048 2.139 . . . . 0.0 115.748 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -103.61 1.28 31.87 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.436 1.894 . . . . 0.0 109.623 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -107.9 10.67 28.46 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 126.532 1.933 . . . . 0.0 109.458 174.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -96.17 -21.77 17.7 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 127.396 2.278 . . . . 0.0 109.76 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 t -131.65 68.61 1.49 Allowed 'General case' 0 C--N 1.356 0.886 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -142.88 -52.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -174.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.2 m -107.51 5.25 26.96 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.36 2.264 . . . . 0.0 109.592 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -93.65 -29.81 15.25 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 127.617 2.367 . . . . 0.0 108.448 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -97.42 -4.09 38.91 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 128.217 2.607 . . . . 0.0 111.789 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tt -115.36 -55.65 2.43 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.497 1.519 . . . . 0.0 107.426 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -106.88 -124.95 0.24 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.726 1.61 . . . . 0.0 108.25 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -154.17 37.96 0.44 Allowed 'General case' 0 C--N 1.365 1.27 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.8 p -112.18 -165.15 0.97 Allowed 'General case' 0 C--N 1.361 1.093 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -173.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -125.88 -105.36 0.34 Allowed 'General case' 0 C--N 1.354 0.8 0 C-N-CA 124.347 1.059 . . . . 0.0 108.938 -165.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HG2' ' H ' ' A' ' 20' ' ' GLY . 52.6 tttt -85.12 -178.32 6.76 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.729 2.812 . . . . 0.0 112.525 -164.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.48 ' H ' ' HG2' ' A' ' 19' ' ' LYS . . . -178.27 178.27 48.55 Favored Glycine 0 CA--C 1.491 -1.464 0 N-CA-C 108.286 -1.926 . . . . 0.0 108.286 -175.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.6 p90 -150.23 160.73 43.47 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 104.639 -2.356 . . . . 0.0 104.639 169.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.9 t -106.71 121.85 45.18 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.826 0.851 . . . . 0.0 109.515 -174.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -105.91 177.98 4.7 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.103 2.161 . . . . 0.0 105.712 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -89.82 17.45 6.65 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 125.655 1.582 . . . . 0.0 113.345 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.31 -16.39 12.01 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.905 2.482 . . . . 0.0 109.957 174.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.48 -161.5 27.97 Favored Glycine 0 C--N 1.364 2.089 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.9 m -90.31 135.62 33.56 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.102 1.761 . . . . 0.0 110.423 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.4 mm -84.95 138.22 19.46 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 C-N-CA 128.618 2.767 . . . . 0.0 107.102 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.3 m -126.21 113.61 17.22 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -112.3 148.57 33.92 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.379 1.872 . . . . 0.0 107.503 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.26 1.63 0 C-N-CA 125.64 1.576 . . . . 0.0 110.72 -178.413 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.398 0.618 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 t -157.54 31.98 0.27 Allowed 'General case' 0 C--N 1.358 0.966 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.2 p -111.47 -116.97 0.31 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.299 1.839 . . . . 0.0 107.171 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.1 m -160.91 -48.77 0.05 OUTLIER 'General case' 0 C--N 1.356 0.861 0 N-CA-C 104.437 -2.431 . . . . 0.0 104.437 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -91.85 47.26 1.33 Allowed 'General case' 0 C--N 1.37 1.475 0 C-N-CA 127.701 2.4 . . . . 0.0 111.138 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -129.93 17.66 5.64 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 163.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -147.73 24.97 1.07 Allowed 'General case' 0 C--N 1.365 1.255 0 C-N-CA 126.532 1.933 . . . . 0.0 108.057 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -95.7 130.42 42.6 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 120.524 -1.36 . . . . 0.0 108.512 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m 70.0 51.66 0.41 Allowed 'General case' 0 C--N 1.368 1.398 0 C-N-CA 128.039 2.536 . . . . 0.0 112.177 -176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.02 -59.17 3.38 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 C-N-CA 126.256 1.822 . . . . 0.0 109.087 -170.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.7 m -110.35 -0.84 17.46 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 127.834 2.454 . . . . 0.0 109.127 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -90.16 -28.94 18.59 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 127.755 2.422 . . . . 0.0 109.429 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -89.04 -25.74 21.79 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 128.462 2.705 . . . . 0.0 111.652 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -110.27 -60.09 1.85 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 125.369 1.467 . . . . 0.0 111.089 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -101.16 -2.82 30.39 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.083 1.353 . . . . 0.0 113.681 -167.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 m120 79.14 31.1 0.3 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 127.743 2.417 . . . . 0.0 114.826 169.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 31' ' ' SER . 75.2 p -110.8 -160.91 0.73 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.107 1.763 . . . . 0.0 107.102 -172.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.5 m -108.85 -112.55 0.3 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.344 1.058 . . . . 0.0 110.846 -172.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -77.83 138.5 38.98 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 126.542 1.937 . . . . 0.0 114.889 -164.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.97 129.82 6.68 Favored Glycine 0 C--N 1.356 1.655 0 N-CA-C 106.411 -2.676 . . . . 0.0 106.411 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -135.86 166.66 22.79 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.1 m -100.28 142.68 31.42 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.817 1.647 . . . . 0.0 108.377 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -107.72 -83.69 0.54 Allowed 'General case' 0 C--N 1.359 1.019 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 169.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -149.19 -48.62 0.14 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 2.3 mpt_? -80.83 -36.96 30.86 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 128.636 2.774 . . . . 0.0 113.512 -169.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.57 -151.34 9.12 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.464 -2.254 . . . . 0.0 107.464 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.2 m -94.92 156.16 16.45 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.711 2.004 . . . . 0.0 110.493 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.4 mm -117.52 105.3 17.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.046 0 N-CA-C 104.605 -2.368 . . . . 0.0 104.605 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 62.1 m -104.17 100.72 10.46 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 125.633 1.573 . . . . 0.0 109.337 -170.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -115.98 153.75 31.06 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 125.528 1.531 . . . . 0.0 108.532 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.405 ' HA ' ' HB ' ' A' ' 17' ' ' THR . 44.9 m . . . . . 0 C--O 1.26 1.611 0 C-N-CA 126.241 1.816 . . . . 0.0 110.891 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.442 0.639 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 p -104.42 -51.93 3.01 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.935 2.094 . . . . 0.0 109.103 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.9 p -128.11 178.19 6.39 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.862 1.665 . . . . 0.0 107.368 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.1 t -70.07 -33.29 71.73 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.781 3.232 . . . . 0.0 111.477 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.29 17.72 7.98 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.951 2.501 . . . . 0.0 112.52 -177.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -97.95 -25.66 14.91 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.712 2.405 . . . . 0.0 107.427 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -100.58 9.78 42.05 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 127.224 2.21 . . . . 0.0 111.66 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -93.0 -17.63 23.68 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.462 1.905 . . . . 0.0 110.832 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 p -136.47 61.23 1.64 Allowed 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.443 1.497 . . . . 0.0 107.191 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -128.47 -48.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.254 0 C-N-CA 124.48 1.112 . . . . 0.0 109.082 -174.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -106.82 3.46 26.45 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 126.16 1.784 . . . . 0.0 110.772 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.11 8.38 15.65 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.048 1.339 . . . . 0.0 109.409 171.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -100.69 -30.96 11.45 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 128.525 2.73 . . . . 0.0 108.12 168.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp -101.76 -59.57 1.68 Allowed 'General case' 0 C--N 1.367 1.33 0 C-N-CA 127.041 2.136 . . . . 0.0 109.466 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -98.55 -91.36 0.27 Allowed 'General case' 0 C--N 1.367 1.338 0 C-N-CA 124.976 1.31 . . . . 0.0 111.914 -168.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -149.48 -59.59 0.21 Allowed 'General case' 0 C--N 1.365 1.268 0 CA-C-N 118.923 0.783 . . . . 0.0 112.16 -173.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.5 p -133.16 138.64 46.68 Favored 'General case' 0 C--N 1.366 1.293 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -171.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 t -150.09 121.18 7.73 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.973 1.309 . . . . 0.0 109.8 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.64 84.17 2.07 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 103.508 -2.775 . . . . 0.0 103.508 165.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.51 -177.11 26.13 Favored Glycine 0 C--N 1.357 1.716 0 C-N-CA 125.289 1.423 . . . . 0.0 113.558 -168.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 36.6 p90 -150.38 168.76 23.18 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 169.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -111.11 121.5 45.49 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 126.562 1.945 . . . . 0.0 106.129 -175.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.94 -90.0 0.34 Allowed 'General case' 0 C--N 1.365 1.243 0 C-N-CA 125.031 1.332 . . . . 0.0 109.446 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -142.8 -47.99 0.33 Allowed 'General case' 0 C--N 1.358 0.963 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -170.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -86.24 -31.02 21.9 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.229 2.212 . . . . 0.0 112.405 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.01 -154.39 23.27 Favored Glycine 0 CA--C 1.487 -1.681 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.5 m -85.66 157.99 20.19 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 126.756 2.022 . . . . 0.0 111.411 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.4 mm -114.85 141.6 30.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.6 m -127.78 114.51 17.35 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 -178.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -116.74 -165.79 1.1 Allowed 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.814 1.646 . . . . 0.0 106.911 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.261 1.665 0 C-N-CA 124.857 1.263 . . . . 0.0 108.951 176.037 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.63 0.728 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 p -114.66 -54.37 2.58 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.55 1.94 . . . . 0.0 105.794 165.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -139.19 -164.32 1.64 Allowed 'General case' 0 C--N 1.362 1.113 0 N-CA-C 106.182 -1.785 . . . . 0.0 106.182 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.0 p -64.6 -28.37 69.58 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 130.883 3.673 . . . . 0.0 114.214 169.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -86.35 2.21 48.29 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 128.056 2.543 . . . . 0.0 113.488 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -104.77 -6.76 20.02 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 126.903 2.081 . . . . 0.0 109.127 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 70.4 m -102.25 10.95 38.89 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 126.54 1.936 . . . . 0.0 110.126 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -96.4 -22.05 17.39 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.454 2.301 . . . . 0.0 109.187 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 p -128.66 65.76 1.42 Allowed 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.498 1.919 . . . . 0.0 106.364 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 p -140.62 -53.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.248 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m -106.03 6.13 30.92 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.245 2.218 . . . . 0.0 109.779 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -95.8 -32.44 12.69 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 127.095 2.158 . . . . 0.0 108.399 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -90.85 -12.0 37.59 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 128.181 2.592 . . . . 0.0 112.16 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 98.6 mt -110.97 -54.17 2.63 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 125.547 1.539 . . . . 0.0 108.981 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -105.44 -118.61 0.23 Allowed 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.008 1.323 . . . . 0.0 109.465 -173.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -163.98 42.45 0.1 Allowed 'General case' 0 C--N 1.363 1.177 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -169.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.9 p -121.44 -171.15 2.16 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.6 m -118.39 -105.83 0.39 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 124.878 1.271 . . . . 0.0 109.744 -168.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 mmtm -83.09 -174.94 5.58 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.588 2.755 . . . . 0.0 113.587 -166.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 177.68 177.13 46.26 Favored Glycine 0 CA--C 1.49 -1.51 0 N-CA-C 107.846 -2.102 . . . . 0.0 107.846 -173.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 31.5 p90 -148.77 164.21 35.07 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 168.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.2 t -110.43 122.52 47.92 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.371 0.668 . . . . 0.0 109.319 -174.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -106.0 -179.7 4.02 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.248 2.219 . . . . 0.0 105.697 169.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -86.76 14.63 6.8 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 126.112 1.765 . . . . 0.0 113.735 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -100.27 -46.76 5.17 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 128.499 2.72 . . . . 0.0 108.673 175.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.4 -152.1 20.38 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 105.821 -2.912 . . . . 0.0 105.821 -175.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.2 m -89.52 141.89 28.17 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.837 1.655 . . . . 0.0 110.905 174.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -89.27 138.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.152 0 C-N-CA 128.616 2.766 . . . . 0.0 106.345 165.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.8 m -125.2 115.91 21.17 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -113.84 148.92 35.81 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.446 1.898 . . . . 0.0 107.255 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.26 1.611 0 C-N-CA 125.649 1.58 . . . . 0.0 110.687 -179.022 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.74 0.781 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -144.83 -30.08 0.45 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.8 p -124.3 166.12 16.47 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 126.078 1.751 . . . . 0.0 107.001 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.6 m -72.39 -27.62 62.48 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 128.951 2.9 . . . . 0.0 112.8 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -88.17 10.6 18.84 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 128.304 2.642 . . . . 0.0 113.111 -176.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -98.37 -23.3 15.66 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 127.717 2.407 . . . . 0.0 107.834 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.3 m -99.27 10.79 40.73 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.245 2.218 . . . . 0.0 111.536 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -93.31 -18.5 22.38 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.68 1.992 . . . . 0.0 110.541 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -133.27 74.43 1.56 Allowed 'General case' 0 C--N 1.357 0.9 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 175.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.7 p -139.06 -50.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.399 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.8 m -104.3 4.71 33.95 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 126.321 1.848 . . . . 0.0 110.912 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.13 6.44 15.12 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.089 1.356 . . . . 0.0 109.422 170.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -100.83 -28.55 12.73 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.072 2.549 . . . . 0.0 107.758 168.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mp -99.54 -62.37 1.25 Allowed 'General case' 0 C--N 1.368 1.381 0 C-N-CA 127.214 2.205 . . . . 0.0 109.554 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -97.69 -91.7 0.25 Allowed 'General case' 0 C--N 1.366 1.305 0 C-N-CA 125.063 1.345 . . . . 0.0 112.058 -167.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -148.27 -60.2 0.25 Allowed 'General case' 0 C--N 1.365 1.279 0 CA-C-N 119.085 0.857 . . . . 0.0 112.19 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -135.12 136.18 41.73 Favored 'General case' 0 C--N 1.365 1.256 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -146.21 126.22 13.69 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 125.254 1.422 . . . . 0.0 109.588 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -139.32 91.03 2.47 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 164.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.09 -175.14 22.77 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 124.992 1.282 . . . . 0.0 113.029 -169.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -150.51 167.29 27.63 Favored 'General case' 0 N--CA 1.433 -1.294 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 169.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.4 t -109.35 121.85 46.09 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 126.065 1.746 . . . . 0.0 106.387 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -99.52 -87.52 0.36 Allowed 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.021 1.328 . . . . 0.0 109.684 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -141.88 -49.36 0.38 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -91.62 -27.65 18.0 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.243 2.217 . . . . 0.0 112.155 -170.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.57 -154.53 23.17 Favored Glycine 0 C--N 1.357 1.705 0 N-CA-C 107.569 -2.212 . . . . 0.0 107.569 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.8 m -87.05 158.69 19.16 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 126.94 2.096 . . . . 0.0 111.365 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 mm -114.92 144.21 22.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 N-CA-C 102.785 -3.043 . . . . 0.0 102.785 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 96.2 m -129.66 116.87 19.47 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -114.04 150.75 33.5 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 125.427 1.491 . . . . 0.0 107.635 176.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.26 1.616 0 C-N-CA 124.91 1.284 . . . . 0.0 109.18 179.848 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 121.2 0.524 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.4 p -114.91 -38.95 3.78 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.252 1.821 . . . . 0.0 110.08 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.7 p -123.07 -78.36 0.6 Allowed 'General case' 0 C--N 1.364 1.223 0 C-N-CA 124.419 1.088 . . . . 0.0 110.592 -168.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -177.38 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.357 0.908 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 -162.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -73.77 -11.68 60.46 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 128.892 2.877 . . . . 0.0 114.998 -172.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -94.88 0.08 54.47 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 126.902 2.081 . . . . 0.0 110.182 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.9 m -114.46 15.92 17.8 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.193 2.197 . . . . 0.0 108.56 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -107.24 134.24 50.62 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 169.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m 73.76 46.19 0.21 Allowed 'General case' 0 C--N 1.363 1.193 0 C-N-CA 126.779 2.032 . . . . 0.0 111.933 -176.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.5 -49.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.363 1.19 0 C-N-CA 126.122 1.769 . . . . 0.0 108.273 -171.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.1 m -116.12 2.75 13.43 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 128.134 2.574 . . . . 0.0 108.784 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.501 ' HG3' ' H ' ' A' ' 18' ' ' SER . 6.0 tt0 -103.51 -36.04 8.11 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.579 2.352 . . . . 0.0 107.987 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -80.69 -20.29 43.24 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 129.019 2.927 . . . . 0.0 112.526 170.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.4 tp -94.82 -51.04 4.87 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 126.212 1.805 . . . . 0.0 110.492 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -100.1 -90.55 0.31 Allowed 'General case' 0 C--N 1.367 1.347 0 C-N-CA 125.325 1.45 . . . . 0.0 108.83 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.53 -53.22 0.04 OUTLIER 'General case' 0 C--N 1.363 1.174 0 CA-C-N 119.053 0.842 . . . . 0.0 112.258 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 p -121.68 127.54 50.88 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.501 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.252 5.6 t -164.33 136.55 4.75 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 124.965 1.306 . . . . 0.0 112.577 174.158 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -118.39 159.31 23.67 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 103.951 -2.611 . . . . 0.0 103.951 160.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.97 167.11 33.2 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 -173.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -140.58 172.66 12.4 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 169.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.6 t -110.38 127.75 55.23 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.853 1.661 . . . . 0.0 107.639 -173.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -101.89 -9.93 20.29 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.196 1.798 . . . . 0.0 109.816 173.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.287 72.8 m80 79.97 8.44 1.54 Allowed 'General case' 0 C--N 1.367 1.36 0 C-N-CA 129.519 3.127 . . . . 0.0 114.112 175.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -104.87 -23.09 13.06 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 128.529 2.732 . . . . 0.0 107.856 171.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.23 -160.92 31.71 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 104.827 -3.309 . . . . 0.0 104.827 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.9 m -104.52 162.91 12.85 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.9 1.68 . . . . 0.0 108.854 175.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.1 mm -114.88 138.78 43.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.0 m -124.83 121.11 33.64 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 124.807 1.243 . . . . 0.0 108.469 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -102.66 -176.51 3.12 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 127.763 2.425 . . . . 0.0 107.528 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--O 1.26 1.625 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 173.08 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.699 0.762 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.41 ' H ' ' H ' ' A' ' 3' ' ' THR . 14.9 t -145.36 -29.64 0.43 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 176.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.41 ' H ' ' H ' ' A' ' 2' ' ' THR . 17.4 p -127.4 167.14 16.63 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 125.61 1.564 . . . . 0.0 107.452 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 t -70.63 -31.5 68.47 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 129.869 3.268 . . . . 0.0 112.372 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -91.55 12.39 21.04 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 127.289 2.235 . . . . 0.0 112.896 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -111.61 8.44 20.88 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.302 2.241 . . . . 0.0 107.59 170.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.8 m -124.22 18.15 9.1 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 127.157 2.183 . . . . 0.0 107.78 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.7 m0 -106.28 131.8 53.08 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 169.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.361 46.3 p 73.28 44.88 0.3 Allowed 'General case' 0 C--N 1.362 1.139 0 C-N-CA 128.473 2.709 . . . . 0.0 112.527 -174.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.69 -48.42 4.96 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 126.279 1.832 . . . . 0.0 108.397 -171.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.3 m -116.96 0.28 12.39 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.339 2.256 . . . . 0.0 108.683 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -97.55 -21.38 17.12 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.502 1.921 . . . . 0.0 108.329 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -80.88 -39.21 26.74 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 129.083 2.953 . . . . 0.0 111.454 172.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.6 mt -97.85 -48.14 5.3 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.662 1.585 . . . . 0.0 111.408 -172.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -108.06 -112.23 0.3 Allowed 'General case' 0 C--N 1.364 1.218 0 C-N-CA 125.177 1.391 . . . . 0.0 109.722 -175.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -167.12 48.67 0.06 Allowed 'General case' 0 C--N 1.365 1.243 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -166.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 p -111.12 -152.44 0.5 Allowed 'General case' 0 C--N 1.361 1.089 0 O-C-N 120.912 -1.118 . . . . 0.0 109.944 -169.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.4 t -147.04 -91.44 0.09 Allowed 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -88.58 148.06 24.28 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 127.895 2.478 . . . . 0.0 112.137 -167.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.42 156.07 26.49 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.733 -2.147 . . . . 0.0 107.733 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -144.14 172.47 12.85 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 172.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -110.97 126.62 54.96 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 126.117 1.767 . . . . 0.0 106.969 -174.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -101.28 -89.18 0.36 Allowed 'General case' 0 C--N 1.364 1.239 0 C-N-CA 125.745 1.618 . . . . 0.0 108.602 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -153.75 -48.14 0.09 Allowed 'General case' 0 C--N 1.357 0.912 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 -171.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -78.52 -23.71 46.14 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 128.57 2.748 . . . . 0.0 114.137 -175.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.5 -153.53 24.44 Favored Glycine 0 C--N 1.357 1.734 0 N-CA-C 106.622 -2.591 . . . . 0.0 106.622 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.3 m -91.39 160.07 15.66 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 126.65 1.98 . . . . 0.0 110.802 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -115.1 139.98 38.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 C-N-CA 128.557 2.743 . . . . 0.0 103.845 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.5 m -130.49 117.4 19.56 Favored 'General case' 0 C--N 1.361 1.074 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -107.22 21.52 17.39 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 125.906 1.683 . . . . 0.0 113.895 -167.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.6 m . . . . . 0 C--O 1.26 1.628 0 C-N-CA 127.337 2.255 . . . . 0.0 114.616 172.596 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 121.633 0.73 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -142.49 -39.87 0.35 Allowed 'General case' 0 C--N 1.356 0.891 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 162.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -140.68 -168.35 2.56 Favored 'General case' 0 C--N 1.363 1.186 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.6 t -58.6 -35.25 72.15 Favored 'General case' 0 C--N 1.365 1.257 1 C-N-CA 132.081 4.152 . . . . 0.0 115.56 178.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -89.75 14.26 12.28 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 126.664 1.985 . . . . 0.0 114.986 -168.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -109.43 5.54 23.47 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.175 2.19 . . . . 0.0 107.687 173.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.7 m -120.15 9.37 11.11 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.376 1.871 . . . . 0.0 109.031 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -91.71 -25.72 18.96 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.435 1.894 . . . . 0.0 111.075 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 t -131.74 60.27 1.68 Allowed 'General case' 0 C--N 1.359 1.021 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.9 p -124.98 -46.32 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.239 0 C-N-CA 125.022 1.329 . . . . 0.0 109.184 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.1 m -115.61 -0.81 12.89 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.41 2.284 . . . . 0.0 109.09 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.622 ' HG3' ' H ' ' A' ' 18' ' ' SER . 4.5 tt0 -97.88 -31.28 12.28 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 128.166 2.586 . . . . 0.0 108.594 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 tmt_? -78.32 -28.62 47.39 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 129.327 3.051 . . . . 0.0 112.312 170.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.67 -49.3 6.36 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.56 1.944 . . . . 0.0 111.106 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -99.13 -93.34 0.26 Allowed 'General case' 0 C--N 1.365 1.241 0 C-N-CA 125.153 1.381 . . . . 0.0 108.845 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -159.94 -57.42 0.06 Allowed 'General case' 0 C--N 1.365 1.25 0 CA-C-N 119.863 1.21 . . . . 0.0 111.113 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.2 p -123.04 122.0 37.43 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.622 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.27 69.0 m -153.78 144.45 22.53 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 125.951 1.701 . . . . 0.0 111.926 173.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -135.57 134.13 39.06 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 102.761 -3.051 . . . . 0.0 102.761 173.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.72 -179.44 16.98 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-O 122.026 0.792 . . . . 0.0 111.183 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.7 p90 -150.09 167.1 27.76 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 104.325 -2.472 . . . . 0.0 104.325 168.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.4 t -116.29 124.4 50.06 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 106.887 -1.524 . . . . 0.0 106.887 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -98.73 -88.34 0.33 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.787 1.635 . . . . 0.0 109.726 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -140.33 -48.31 0.44 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -170.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -87.53 -29.74 21.1 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 127.196 2.199 . . . . 0.0 112.623 -171.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.98 -153.89 23.46 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 107.353 -2.299 . . . . 0.0 107.353 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.2 m -85.86 153.51 22.18 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 126.796 2.038 . . . . 0.0 111.85 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mm -113.21 136.11 50.6 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 N-CA-C 103.016 -2.957 . . . . 0.0 103.016 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.7 m -124.24 116.43 22.67 Favored 'General case' 0 C--N 1.359 1.006 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -111.28 -154.35 0.54 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.217 1.807 . . . . 0.0 107.081 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--O 1.261 1.691 0 C-N-CA 125.414 1.485 . . . . 0.0 108.245 172.654 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.407 0.623 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -141.35 -33.2 0.52 Allowed 'General case' 0 C--N 1.359 1.013 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 p -133.62 173.61 11.32 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.1 p -73.75 -24.75 59.92 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.269 2.628 . . . . 0.0 112.54 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -84.72 -9.26 58.39 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 128.651 2.78 . . . . 0.0 112.067 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -91.76 -7.16 50.44 Favored 'General case' 0 C--N 1.368 1.376 0 C-N-CA 127.525 2.33 . . . . 0.0 110.036 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.1 m -113.16 25.44 11.36 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 127.009 2.124 . . . . 0.0 109.575 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -108.77 130.69 55.38 Favored 'General case' 0 C--N 1.361 1.073 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 170.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.44 ' H ' HE21 ' A' ' 12' ' ' GLN . 5.5 t 80.8 49.58 0.02 OUTLIER 'General case' 0 C--N 1.366 1.295 0 C-N-CA 128.753 2.821 . . . . 0.0 109.569 -172.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.08 -59.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.364 1.223 0 C-N-CA 125.86 1.664 . . . . 0.0 108.713 -171.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.0 m -117.93 7.93 12.45 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 127.313 2.245 . . . . 0.0 108.833 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.44 HE21 ' H ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -110.04 10.45 24.11 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 126.567 1.947 . . . . 0.0 107.76 165.345 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -106.6 -10.86 16.04 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 127.385 2.274 . . . . 0.0 108.604 164.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.1 mt -107.78 -48.51 3.39 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.486 1.914 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -100.99 -95.3 0.27 Allowed 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.537 1.535 . . . . 0.0 109.448 -174.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -160.65 -60.67 0.06 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.2 p -127.04 130.0 49.13 Favored 'General case' 0 C--N 1.361 1.072 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.269 3.9 t -153.57 147.2 25.13 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 124.502 1.121 . . . . 0.0 108.895 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -118.68 126.09 51.13 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 170.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.46 146.98 17.25 Favored Glycine 0 C--N 1.357 1.739 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 45.8 p90 -138.48 166.23 24.81 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -109.73 125.31 52.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.855 1.662 . . . . 0.0 108.248 -172.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -103.03 -7.8 21.1 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.528 1.931 . . . . 0.0 109.675 173.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.289 72.5 m80 80.86 15.64 0.62 Allowed 'General case' 0 C--N 1.367 1.349 0 C-N-CA 129.889 3.276 . . . . 0.0 113.521 176.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -113.31 -10.5 13.3 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.942 2.497 . . . . 0.0 108.416 169.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.36 -165.75 31.45 Favored Glycine 0 C--N 1.359 1.832 0 N-CA-C 105.674 -2.971 . . . . 0.0 105.674 -176.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 79.5 m -104.79 154.28 20.22 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 126.036 1.734 . . . . 0.0 107.845 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.3 mm -113.32 110.39 32.02 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 C-N-CA 126.35 1.86 . . . . 0.0 106.322 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.4 m -105.2 109.49 21.49 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 124.974 1.309 . . . . 0.0 108.87 -176.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -116.93 18.1 14.81 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 124.792 1.237 . . . . 0.0 111.339 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.258 1.545 0 C-N-CA 127.747 2.419 . . . . 0.0 113.072 175.237 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.532 0.682 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -151.82 -10.37 0.2 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 124.528 1.131 . . . . 0.0 108.116 174.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 p -112.22 -98.19 0.42 Allowed 'General case' 0 C--N 1.366 1.295 0 C-N-CA 125.413 1.485 . . . . 0.0 110.055 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 t -179.4 -44.31 0.01 OUTLIER 'General case' 0 C--N 1.357 0.898 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 -168.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -73.18 -12.15 60.78 Favored 'General case' 0 C--N 1.371 1.518 0 C-N-CA 129.711 3.204 . . . . 0.0 114.597 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -94.88 14.72 20.63 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 126.992 2.117 . . . . 0.0 111.132 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.1 m -129.02 10.51 5.9 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.092 1.757 . . . . 0.0 108.916 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -91.86 -26.16 18.62 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 125.513 1.525 . . . . 0.0 111.866 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 p -126.35 44.84 2.78 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.57 1.548 . . . . 0.0 107.928 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.78 -40.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 126.799 2.04 . . . . 0.0 108.511 -176.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.8 m -102.22 1.01 35.42 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.391 1.876 . . . . 0.0 111.491 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -95.83 -13.74 23.79 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 125.932 1.693 . . . . 0.0 109.293 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -98.04 -31.95 11.88 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 128.969 2.907 . . . . 0.0 109.876 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -117.44 -57.54 2.13 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 125.128 1.371 . . . . 0.0 110.792 -170.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -102.01 -5.35 24.71 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -159.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.4 t30 78.82 21.84 0.69 Allowed 'General case' 0 C--N 1.369 1.452 0 C-N-CA 127.639 2.376 . . . . 0.0 114.072 170.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 p -116.81 -157.32 0.65 Allowed 'General case' 0 C--N 1.357 0.917 0 C-N-CA 128.038 2.535 . . . . 0.0 105.458 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.3 m -115.36 -110.12 0.36 Allowed 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.707 1.203 . . . . 0.0 110.752 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -77.88 -169.81 1.67 Allowed 'General case' 0 C--N 1.359 1.017 0 C-N-CA 128.512 2.725 . . . . 0.0 115.129 -165.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.85 -177.79 43.31 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 26.8 p90 -150.92 173.85 13.8 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 165.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.8 t -109.6 129.83 55.55 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.261 1.425 . . . . 0.0 107.287 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -99.94 -89.57 0.33 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.635 1.574 . . . . 0.0 108.562 177.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -151.96 -45.94 0.11 Allowed 'General case' 0 C--N 1.358 0.944 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -74.22 -34.49 63.7 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 128.623 2.769 . . . . 0.0 113.536 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.95 -150.7 15.26 Favored Glycine 0 CA--C 1.487 -1.658 0 N-CA-C 106.404 -2.678 . . . . 0.0 106.404 -176.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.3 m -89.36 159.41 17.36 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.756 2.022 . . . . 0.0 111.286 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.9 mm -113.16 145.76 18.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 C-N-CA 128.964 2.906 . . . . 0.0 103.656 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.4 m -113.58 124.19 51.76 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 125.257 1.423 . . . . 0.0 107.193 175.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -119.04 151.99 37.25 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 169.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.26 1.644 0 C-N-CA 125.373 1.469 . . . . 0.0 108.438 178.514 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.662 0.744 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -143.5 -34.2 0.41 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 106.282 -1.748 . . . . 0.0 106.282 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.5 p -131.14 174.51 9.96 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 125.93 1.692 . . . . 0.0 106.564 -178.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -71.35 -25.51 62.42 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 129.524 3.13 . . . . 0.0 113.069 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -86.18 2.89 45.2 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.746 2.418 . . . . 0.0 113.407 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -104.05 3.47 33.32 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.151 2.18 . . . . 0.0 109.023 172.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.6 m -124.97 20.07 8.36 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 126.819 2.048 . . . . 0.0 108.252 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -109.99 129.36 55.68 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 105.615 -1.994 . . . . 0.0 105.615 169.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t 78.59 49.98 0.03 OUTLIER 'General case' 0 C--N 1.365 1.28 0 C-N-CA 127.956 2.502 . . . . 0.0 110.995 -173.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -122.66 -55.56 2.83 Favored 'Isoleucine or valine' 0 C--N 1.364 1.226 0 C-N-CA 125.631 1.572 . . . . 0.0 107.711 -173.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.2 m -115.56 -0.01 13.18 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 127.976 2.51 . . . . 0.0 108.209 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.491 ' HG3' ' H ' ' A' ' 18' ' ' SER . 43.5 tt0 -98.47 -19.21 17.8 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.801 2.44 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -80.14 -39.15 30.01 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 129.878 3.271 . . . . 0.0 112.239 167.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.5 mt -95.15 -53.92 3.62 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 125.748 1.619 . . . . 0.0 112.175 -170.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -99.62 -3.12 33.88 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 125.668 1.587 . . . . 0.0 111.298 -174.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.319 71.9 m-20 91.31 -28.43 0.04 OUTLIER 'General case' 0 C--N 1.365 1.272 0 C-N-CA 128.692 2.797 . . . . 0.0 115.055 163.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.7 p -131.12 128.04 39.32 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 174.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.491 ' H ' ' HG3' ' A' ' 12' ' ' GLN 0.276 6.2 t -163.33 141.55 7.94 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 125.004 1.322 . . . . 0.0 111.394 172.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -117.19 123.12 45.89 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 163.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.36 154.77 20.5 Favored Glycine 0 CA--C 1.488 -1.611 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.6 p90 -142.68 169.54 17.38 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 t -108.43 125.04 51.32 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.016 1.726 . . . . 0.0 107.354 -173.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -98.85 -88.63 0.32 Allowed 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.603 1.561 . . . . 0.0 108.992 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -146.79 -50.1 0.2 Allowed 'General case' 0 C--N 1.359 0.98 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -172.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -87.02 -27.11 23.4 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.358 2.263 . . . . 0.0 112.72 -172.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.1 -154.19 21.06 Favored Glycine 0 C--N 1.356 1.68 0 N-CA-C 107.438 -2.265 . . . . 0.0 107.438 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 99.7 m -91.01 160.58 15.54 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 126.701 2.0 . . . . 0.0 111.171 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.1 mm -113.12 142.05 26.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 103.299 -2.852 . . . . 0.0 103.299 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -128.8 119.45 24.54 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -118.05 -154.65 0.57 Allowed 'General case' 0 C--N 1.362 1.135 0 C-N-CA 126.478 1.911 . . . . 0.0 106.815 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 C--O 1.26 1.624 0 C-N-CA 125.799 1.639 . . . . 0.0 107.811 171.138 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 121.662 0.744 . . . . 0.0 111.826 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -144.36 -31.5 0.44 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.9 p -126.66 167.25 15.95 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 125.957 1.703 . . . . 0.0 106.946 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -71.86 -27.41 62.85 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 128.887 2.875 . . . . 0.0 112.828 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -87.01 5.45 37.36 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 128.062 2.545 . . . . 0.0 113.104 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -99.51 -14.11 19.2 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 127.624 2.37 . . . . 0.0 108.882 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -104.18 13.21 32.76 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.57 1.948 . . . . 0.0 110.838 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -96.06 -23.21 16.9 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.576 1.951 . . . . 0.0 109.862 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 p -129.0 60.94 1.53 Allowed 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.907 1.683 . . . . 0.0 106.674 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -132.51 -50.61 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.269 0 C-N-CA 124.707 1.203 . . . . 0.0 108.069 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.2 m -108.88 1.2 20.67 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.454 2.302 . . . . 0.0 109.773 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -94.33 -29.39 15.06 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.772 2.029 . . . . 0.0 108.474 170.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -82.76 -28.97 30.01 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 129.697 3.199 . . . . 0.0 111.812 176.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.7 tp -101.69 -53.55 2.94 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 125.897 1.679 . . . . 0.0 110.562 -175.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -105.76 -114.6 0.25 Allowed 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.074 1.35 . . . . 0.0 109.756 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -165.88 43.43 0.07 Allowed 'General case' 0 C--N 1.365 1.239 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -168.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.6 p -120.46 -163.63 1.03 Allowed 'General case' 0 C--N 1.36 1.041 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -174.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.7 m -122.28 -107.35 0.35 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.545 1.138 . . . . 0.0 109.533 -170.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mmtp -85.13 -174.7 5.39 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.479 2.712 . . . . 0.0 113.385 -166.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.04 176.18 46.64 Favored Glycine 0 CA--C 1.49 -1.499 0 N-CA-C 108.081 -2.008 . . . . 0.0 108.081 -175.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -146.65 166.27 27.06 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 170.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -104.82 117.2 33.46 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.377 1.471 . . . . 0.0 108.868 -173.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -107.09 179.17 4.34 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 126.948 2.099 . . . . 0.0 105.999 171.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -91.75 21.23 4.92 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.91 1.684 . . . . 0.0 113.173 -176.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -109.46 -27.66 9.33 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 128.374 2.67 . . . . 0.0 109.067 172.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.52 -151.71 23.88 Favored Glycine 0 C--N 1.36 1.875 0 N-CA-C 105.65 -2.98 . . . . 0.0 105.65 -172.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.5 m -87.89 144.93 26.3 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.613 1.565 . . . . 0.0 111.056 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 mm -93.55 138.44 20.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 128.801 2.84 . . . . 0.0 105.497 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.8 m -126.07 114.05 17.89 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 -176.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -112.68 148.01 35.58 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.194 1.798 . . . . 0.0 107.424 176.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.259 1.59 0 C-N-CA 125.661 1.585 . . . . 0.0 108.591 179.446 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 121.469 0.652 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -148.76 -43.67 0.15 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 170.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.7 m -121.08 -80.85 0.63 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 125.353 1.461 . . . . 0.0 109.016 -168.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.5 m -173.63 -39.4 0.01 OUTLIER 'General case' 0 C--N 1.36 1.032 0 C-N-CA 126.03 1.732 . . . . 0.0 107.811 -158.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -83.08 8.8 11.91 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 127.268 2.227 . . . . 0.0 114.313 -171.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -108.69 1.87 21.49 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 128.223 2.609 . . . . 0.0 107.859 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -116.17 20.64 14.22 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 127.334 2.254 . . . . 0.0 107.906 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -110.01 127.94 55.11 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 172.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t 76.88 46.73 0.08 Allowed 'General case' 0 C--N 1.363 1.189 0 C-N-CA 127.857 2.463 . . . . 0.0 111.803 -171.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.4 p -123.05 -50.91 2.65 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 C-N-CA 125.424 1.49 . . . . 0.0 107.692 -174.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.2 m -112.76 0.77 15.38 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 127.411 2.285 . . . . 0.0 108.936 176.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -95.81 -22.13 17.68 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 127.306 2.242 . . . . 0.0 109.044 177.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 -31.29 21.24 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 128.272 2.629 . . . . 0.0 110.746 175.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -104.26 -63.45 1.2 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 125.476 1.51 . . . . 0.0 111.628 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -101.73 -0.93 33.59 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.118 1.367 . . . . 0.0 114.529 -161.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 t30 84.08 29.47 0.07 Allowed 'General case' 0 C--N 1.368 1.393 0 C-N-CA 127.417 2.287 . . . . 0.0 113.971 167.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.411 ' HB ' ' HA ' ' A' ' 31' ' ' SER . 73.2 p -109.74 -160.69 0.73 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 125.456 1.502 . . . . 0.0 107.804 -171.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.0 m -112.61 -109.13 0.36 Allowed 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.854 1.262 . . . . 0.0 110.934 -170.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -93.52 -174.03 3.37 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 127.016 2.127 . . . . 0.0 112.704 -165.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.48 167.18 39.35 Favored Glycine 0 CA--C 1.489 -1.548 0 N-CA-C 107.806 -2.117 . . . . 0.0 107.806 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -139.21 174.49 10.46 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 166.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.5 t -121.07 130.02 53.58 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -97.86 -89.24 0.29 Allowed 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.022 1.729 . . . . 0.0 109.335 -177.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -145.58 -49.6 0.23 Allowed 'General case' 0 C--N 1.358 0.961 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -172.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -85.88 -27.16 25.19 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.293 2.237 . . . . 0.0 113.023 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.64 -156.37 25.83 Favored Glycine 0 C--N 1.357 1.738 0 N-CA-C 107.719 -2.152 . . . . 0.0 107.719 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.1 m -88.93 154.32 20.33 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.644 1.978 . . . . 0.0 111.826 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.9 mm -112.13 140.53 31.32 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.4 m -126.27 112.94 16.31 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 124.835 1.254 . . . . 0.0 107.617 -175.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -108.68 152.51 24.72 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.154 1.782 . . . . 0.0 108.538 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.411 ' HA ' ' HB ' ' A' ' 17' ' ' THR . 49.5 m . . . . . 0 C--O 1.26 1.648 0 C-N-CA 126.077 1.751 . . . . 0.0 110.267 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 121.251 0.548 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -147.39 -26.18 0.38 Allowed 'General case' 0 C--N 1.36 1.065 0 C-N-CA 123.795 0.838 . . . . 0.0 109.011 -175.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 p -126.18 -86.16 0.61 Allowed 'General case' 0 C--N 1.363 1.193 0 C-N-CA 124.038 0.935 . . . . 0.0 108.865 -175.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.3 m -166.02 -42.23 0.03 OUTLIER 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.86 1.664 . . . . 0.0 107.072 -170.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -87.8 23.89 1.9 Allowed 'General case' 0 C--N 1.37 1.473 0 C-N-CA 126.598 1.959 . . . . 0.0 114.56 -169.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -113.7 1.73 14.98 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 126.91 2.084 . . . . 0.0 107.274 170.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.2 m -117.79 9.59 13.02 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 127.088 2.155 . . . . 0.0 108.841 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -99.57 129.03 45.7 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.352 81.0 p 64.25 44.51 4.34 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 129.136 2.974 . . . . 0.0 114.88 -174.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.1 p -112.23 -40.98 3.87 Favored 'Isoleucine or valine' 0 C--N 1.363 1.183 0 C-N-CA 126.92 2.088 . . . . 0.0 108.425 -169.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.4 m -107.48 10.55 29.36 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.717 2.007 . . . . 0.0 110.081 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -95.37 -30.22 14.03 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 126.513 1.925 . . . . 0.0 107.977 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -72.28 -28.8 63.34 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 131.162 3.785 . . . . 0.0 112.747 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mp -101.03 -60.58 1.5 Allowed 'General case' 0 C--N 1.366 1.288 0 C-N-CA 126.723 2.009 . . . . 0.0 108.844 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -108.04 -114.74 0.28 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.705 1.602 . . . . 0.0 109.451 -171.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -162.75 43.3 0.12 Allowed 'General case' 0 C--N 1.365 1.267 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.7 p -133.75 127.02 31.9 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 -174.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.0 m -77.89 -90.71 0.04 OUTLIER 'General case' 0 C--N 1.357 0.893 0 C-N-CA 127.887 2.475 . . . . 0.0 116.252 -162.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -83.45 154.56 23.88 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 129.249 3.02 . . . . 0.0 112.027 -164.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.67 178.19 28.26 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -177.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.5 p90 -144.56 171.86 13.78 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 168.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 t -107.75 126.68 52.91 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 125.475 1.51 . . . . 0.0 107.923 -174.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -101.02 -8.78 22.04 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 126.165 1.786 . . . . 0.0 109.771 173.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . 0.294 70.7 m80 80.3 6.85 1.59 Allowed 'General case' 0 C--N 1.368 1.376 0 C-N-CA 129.37 3.068 . . . . 0.0 114.417 172.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -104.6 -23.66 13.08 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 128.286 2.635 . . . . 0.0 107.858 169.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.13 -162.29 31.12 Favored Glycine 0 C--N 1.356 1.693 0 N-CA-C 105.135 -3.186 . . . . 0.0 105.135 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.6 m -101.88 163.51 12.21 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 126.046 1.738 . . . . 0.0 109.42 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.9 mm -112.98 143.48 22.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 103.521 -2.77 . . . . 0.0 103.521 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -131.65 115.86 16.61 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -120.31 149.94 41.5 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.259 1.599 0 C-N-CA 125.158 1.383 . . . . 0.0 111.788 -175.531 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.644 0.735 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -145.54 -29.67 0.43 Allowed 'General case' 0 C--N 1.358 0.939 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.0 p -123.75 161.27 25.52 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 125.71 1.604 . . . . 0.0 107.725 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.6 p -70.79 -31.05 67.7 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 129.279 3.032 . . . . 0.0 113.291 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -90.54 15.11 11.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.836 2.454 . . . . 0.0 113.58 -177.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -113.26 2.39 15.54 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.251 2.221 . . . . 0.0 107.982 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.2 m -117.34 11.62 14.04 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.572 1.949 . . . . 0.0 109.037 175.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -92.65 -23.76 18.88 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 126.419 1.887 . . . . 0.0 111.418 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 p -132.07 57.13 1.79 Allowed 'General case' 0 C--N 1.357 0.933 0 C-N-CA 125.585 1.554 . . . . 0.0 107.198 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.09 -47.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.364 1.221 0 C-N-CA 124.954 1.301 . . . . 0.0 108.932 -174.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.0 m -107.6 -0.73 21.8 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.034 2.133 . . . . 0.0 111.108 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 17.42 21.45 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.87 1.668 . . . . 0.0 108.97 168.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -107.79 -4.08 18.43 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 128.222 2.609 . . . . 0.0 107.79 163.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.5 mt -117.75 -51.71 2.47 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.148 2.179 . . . . 0.0 108.37 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -98.7 -99.19 0.22 Allowed 'General case' 0 C--N 1.366 1.309 0 C-N-CA 126.242 1.817 . . . . 0.0 109.966 -174.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -155.91 -59.41 0.1 Allowed 'General case' 0 C--N 1.366 1.286 0 CA-C-N 119.381 0.992 . . . . 0.0 110.87 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -135.84 127.25 28.53 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 -177.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.3 m -150.25 152.53 34.7 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.85 1.26 . . . . 0.0 110.057 -173.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.15 176.51 7.0 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 168.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.7 175.17 47.2 Favored Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -150.51 169.4 21.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 N-CA-C 104.612 -2.366 . . . . 0.0 104.612 169.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.5 t -105.02 121.77 44.47 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.288 1.435 . . . . 0.0 108.571 -175.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -109.45 178.1 4.54 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 169.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.54 9.59 17.95 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.141 1.777 . . . . 0.0 113.589 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -98.35 -44.04 6.69 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 128.371 2.668 . . . . 0.0 109.097 176.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.8 -152.62 22.35 Favored Glycine 0 C--N 1.353 1.475 0 N-CA-C 105.331 -3.108 . . . . 0.0 105.331 -174.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 m -85.28 142.73 29.17 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 125.806 1.642 . . . . 0.0 110.853 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 mm -91.39 134.64 29.26 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 C-N-CA 128.319 2.648 . . . . 0.0 106.379 168.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.3 m -119.81 124.92 47.31 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 177.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -107.27 37.8 2.29 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 127.709 2.404 . . . . 0.0 109.236 177.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.7 p . . . . . 0 C--O 1.259 1.563 0 C-N-CA 128.921 2.888 . . . . 0.0 113.861 176.365 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 121.386 0.612 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.408 ' H ' ' H ' ' A' ' 3' ' ' THR . 10.8 t -150.96 -18.14 0.21 Allowed 'General case' 0 C--N 1.359 0.989 0 C-N-CA 124.137 0.975 . . . . 0.0 108.393 -177.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.408 ' H ' ' H ' ' A' ' 2' ' ' THR . 21.1 p -107.28 132.92 52.57 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.848 1.659 . . . . 0.0 107.36 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.8 m -62.47 -20.91 65.04 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 129.26 3.024 . . . . 0.0 117.263 -167.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -91.14 22.43 3.77 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 126.899 2.079 . . . . 0.0 112.619 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -116.84 11.63 14.52 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 126.739 2.015 . . . . 0.0 108.514 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.8 m -141.9 29.21 1.7 Allowed 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.664 1.585 . . . . 0.0 108.405 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -101.76 130.05 48.08 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 172.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 m 70.48 47.26 0.51 Allowed 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.477 2.311 . . . . 0.0 112.051 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.0 p -113.9 -46.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.366 1.309 0 C-N-CA 126.342 1.857 . . . . 0.0 109.079 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.0 m -118.7 -2.29 10.97 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 127.161 2.184 . . . . 0.0 108.982 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.93 16.31 21.31 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 126.091 1.756 . . . . 0.0 109.353 170.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.05 -24.14 13.64 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 127.449 2.3 . . . . 0.0 108.45 160.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mp -96.51 -49.16 5.26 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.473 2.309 . . . . 0.0 109.666 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -99.6 -98.87 0.23 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 125.653 1.581 . . . . 0.0 109.366 -175.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -158.61 -58.26 0.07 Allowed 'General case' 0 C--N 1.363 1.17 0 CA-C-N 119.024 0.829 . . . . 0.0 110.919 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 p -130.19 128.32 41.47 Favored 'General case' 0 C--N 1.363 1.194 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.2 m -149.8 144.6 26.11 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 125.627 1.571 . . . . 0.0 108.099 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -120.34 110.53 16.65 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 103.65 -2.722 . . . . 0.0 103.65 172.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.3 145.31 18.68 Favored Glycine 0 C--N 1.356 1.641 0 C-N-CA 124.298 0.951 . . . . 0.0 111.341 -171.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -137.84 174.99 9.98 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 170.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.1 m -110.53 141.64 43.41 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.355 1.862 . . . . 0.0 107.088 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -101.92 -85.89 0.43 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 125.979 1.712 . . . . 0.0 106.802 170.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -152.4 -46.95 0.1 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -82.12 -21.95 36.43 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 128.116 2.566 . . . . 0.0 114.496 -171.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.78 -151.98 19.2 Favored Glycine 0 C--N 1.356 1.676 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 97.8 m -94.66 160.12 14.77 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 126.659 1.984 . . . . 0.0 111.739 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.6 mm -117.89 122.01 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 102.421 -3.177 . . . . 0.0 102.421 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.6 m -114.2 112.76 23.67 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 124.523 1.129 . . . . 0.0 108.056 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -111.41 -157.67 0.62 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 126.048 1.739 . . . . 0.0 107.957 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.261 1.688 0 C-N-CA 125.783 1.633 . . . . 0.0 108.457 174.53 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 121.595 0.712 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -143.54 -34.65 0.4 Allowed 'General case' 0 C--N 1.358 0.941 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -128.51 170.88 12.65 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 125.785 1.634 . . . . 0.0 106.74 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.6 p -72.27 -25.62 61.67 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 128.673 2.789 . . . . 0.0 112.902 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -86.54 0.22 54.77 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.463 2.705 . . . . 0.0 112.714 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -98.75 -8.06 26.64 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 127.731 2.412 . . . . 0.0 108.959 174.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.8 m -114.35 22.07 14.07 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 126.932 2.093 . . . . 0.0 109.275 176.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -107.35 132.86 52.68 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 169.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.575 ' H ' HE21 ' A' ' 12' ' ' GLN . 67.6 m 73.05 55.28 0.12 Allowed 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.421 2.288 . . . . 0.0 110.834 -177.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.08 -54.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.266 0 C-N-CA 125.556 1.542 . . . . 0.0 107.426 -169.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.6 m -113.55 2.99 15.52 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 127.182 2.193 . . . . 0.0 109.722 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.575 HE21 ' H ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -108.89 14.22 24.32 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.095 1.758 . . . . 0.0 108.171 168.267 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -110.57 -2.83 16.25 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.975 2.11 . . . . 0.0 109.16 159.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.4 mt -110.45 -45.2 3.57 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.298 1.839 . . . . 0.0 108.692 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -105.26 -109.67 0.28 Allowed 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.166 1.786 . . . . 0.0 107.967 -177.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -147.05 -62.35 0.29 Allowed 'General case' 0 C--N 1.363 1.182 0 CA-C-N 119.285 0.948 . . . . 0.0 109.241 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 p -127.24 127.63 44.73 Favored 'General case' 0 C--N 1.361 1.104 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.263 70.4 m -145.52 136.69 24.83 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 125.287 1.435 . . . . 0.0 108.987 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.03 120.18 40.99 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 176.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.38 154.44 21.05 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -171.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 39.9 p90 -146.35 172.47 13.45 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 105.118 -2.178 . . . . 0.0 105.118 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -110.36 129.51 55.74 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 126.001 1.721 . . . . 0.0 107.281 -174.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -103.01 -90.07 0.37 Allowed 'General case' 0 C--N 1.364 1.197 0 C-N-CA 125.608 1.563 . . . . 0.0 108.354 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -151.14 -46.77 0.12 Allowed 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -171.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -80.62 -22.58 40.48 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.461 2.705 . . . . 0.0 114.064 -174.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.94 -154.97 26.01 Favored Glycine 0 C--N 1.357 1.722 0 N-CA-C 106.243 -2.743 . . . . 0.0 106.243 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.4 m -88.55 158.03 18.42 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.4 1.88 . . . . 0.0 111.161 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.1 mm -111.37 139.0 37.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 N-CA-C 103.277 -2.86 . . . . 0.0 103.277 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.8 m -130.4 117.08 19.16 Favored 'General case' 0 C--N 1.359 1.006 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -118.37 -154.43 0.56 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.253 1.821 . . . . 0.0 106.753 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.4 t . . . . . 0 C--O 1.259 1.585 0 C-N-CA 125.836 1.654 . . . . 0.0 107.278 172.67 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 121.368 0.604 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -108.73 -49.64 3.13 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.931 2.092 . . . . 0.0 107.992 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.0 p -122.64 178.57 4.94 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 126.239 1.816 . . . . 0.0 107.343 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.6 m -69.65 -27.04 64.7 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 129.169 2.988 . . . . 0.0 114.054 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -90.58 19.55 5.27 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 127.456 2.302 . . . . 0.0 112.81 -176.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -108.45 -6.8 16.0 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.008 2.123 . . . . 0.0 108.634 174.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.0 m -115.24 14.54 16.93 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.239 1.816 . . . . 0.0 110.035 -174.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.7 m0 -98.28 -22.67 16.0 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.39 1.876 . . . . 0.0 109.711 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 t -129.95 62.94 1.55 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -131.45 -50.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.246 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.9 m -109.22 3.55 21.89 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 127.006 2.123 . . . . 0.0 109.71 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -96.16 -30.33 13.57 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 126.966 2.106 . . . . 0.0 108.252 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -84.59 -28.03 26.83 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 128.844 2.857 . . . . 0.0 112.054 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.8 mt -101.99 -51.27 3.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.554 1.542 . . . . 0.0 110.137 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -106.96 -128.68 0.27 Allowed 'General case' 0 C--N 1.367 1.355 0 C-N-CA 124.873 1.269 . . . . 0.0 108.924 -175.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -151.84 36.74 0.56 Allowed 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.614 1.097 . . . . 0.0 108.593 -167.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.5 p -112.34 -163.98 0.89 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -175.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.9 t -123.73 -104.49 0.37 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.486 1.114 . . . . 0.0 109.496 -166.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HG2' ' H ' ' A' ' 20' ' ' GLY . 62.4 tttt -87.26 179.35 6.64 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 128.872 2.869 . . . . 0.0 111.844 -165.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.416 ' H ' ' HG2' ' A' ' 19' ' ' LYS . . . -174.29 176.9 46.65 Favored Glycine 0 CA--C 1.49 -1.497 0 N-CA-C 108.474 -1.85 . . . . 0.0 108.474 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 36.3 p90 -146.48 170.38 16.98 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 168.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -107.09 123.03 47.64 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 125.243 1.417 . . . . 0.0 108.355 -174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -107.45 175.6 5.44 Favored 'General case' 0 C--N 1.362 1.142 0 N-CA-C 104.994 -2.224 . . . . 0.0 104.994 168.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -90.12 24.74 2.38 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.728 1.611 . . . . 0.0 113.419 -171.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -116.57 -46.55 2.76 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 128.305 2.642 . . . . 0.0 107.715 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.2 -154.14 18.5 Favored Glycine 0 C--N 1.356 1.657 0 N-CA-C 105.75 -2.94 . . . . 0.0 105.75 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.3 m -87.88 145.88 25.84 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.806 1.643 . . . . 0.0 111.515 177.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.0 mm -94.09 135.25 29.02 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 C-N-CA 128.794 2.838 . . . . 0.0 105.711 166.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.8 m -123.57 114.85 20.59 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.198 1.399 . . . . 0.0 107.233 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -112.01 148.37 33.98 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.342 1.857 . . . . 0.0 107.634 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.26 1.609 0 C-N-CA 125.789 1.636 . . . . 0.0 110.616 -178.87 . . . . . . . . 0 0 . 1 stop_ save_