data_1ijc_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 1ijc _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' ' ' MET . . . . . . . . . . . . . 13.6 tmm? . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.796 0.331 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.49 144.16 43.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -118.97 -175.57 2.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.995 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.793 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -124.4 102.67 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 1.107 ' HG2' HG21 ' A' ' 15' ' ' ILE . 5.8 ptt180 -95.48 171.93 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 t -119.53 115.7 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.463 ' H ' HD11 ' A' ' 13' ' ' LEU . . . -68.13 -135.32 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.497 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.75 -13.75 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.358 . . . . 0.0 111.038 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.9 t -142.9 -16.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.41 153.8 17.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.382 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.68 28.09 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.793 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -131.99 47.93 2.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.514 ' O ' ' HA ' ' A' ' 4' ' ' TYR . 4.9 mp -99.54 131.36 45.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.012 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.838 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.57 105.75 17.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 1.107 HG21 ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -101.69 169.62 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.859 ' H ' HG12 ' A' ' 15' ' ' ILE . 3.9 m -115.82 116.38 27.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.15 112.08 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.452 ' C ' ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -48.2 165.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.736 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.83 -8.88 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.865 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.76 -45.53 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.8 127.53 51.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.43 1.4 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.715 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-85 -102.86 147.16 27.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -116.43 100.91 8.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.424 179.649 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.838 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -99.55 132.46 44.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.461 -179.498 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.89 ' HD3' ' HD2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -129.47 98.93 5.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.351 179.53 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.939 ' HE1' HG13 ' A' ' 51' ' ' VAL . 40.8 t90 -99.46 137.89 37.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.5 OUTLIER -123.82 130.13 52.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.054 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.915 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -109.53 92.49 4.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 25.1 mtpt -64.89 19.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.032 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.653 ' H ' ' C ' ' A' ' 29' ' ' ASN . 11.2 mm -118.7 -53.78 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -106.49 25.75 10.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' SER . 8.1 t-20 37.38 30.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.748 ' HG2' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -113.32 135.24 54.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.645 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.804 ' HG3' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -129.51 144.18 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.918 0.39 . . . . 0.0 111.225 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.838 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 7.4 m0 -101.99 88.3 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.635 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.804 HD13 ' HG3' ' A' ' 35' ' ' ARG . 7.2 mp -101.17 129.33 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.671 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 167.79 -176.54 42.42 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.428 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 1.7 m -99.51 140.83 33.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.868 0.365 . . . . 0.0 111.105 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.98 176.27 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.065 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.865 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -82.58 -58.11 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.9 p -104.51 -172.0 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.7 t -109.75 149.16 30.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.033 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.886 HG22 ' ND2' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -138.57 33.23 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.87 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -35.8 132.8 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.836 ' CG2' HG12 ' A' ' 51' ' ' VAL . 18.5 mt -135.01 78.28 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.72 80.5 3.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.3 p -99.8 -132.81 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.764 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.673 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 1.1 p-90 -102.04 -36.24 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.164 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.792 ' H ' HD21 ' A' ' 50' ' ' ASN . 0.0 OUTLIER -114.57 -29.29 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.418 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.939 HG13 ' HE1' ' A' ' 27' ' ' TRP . 4.2 t -99.5 140.37 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.931 0.396 . . . . 0.0 111.355 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.939 ' HH ' ' HE2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -140.17 97.48 3.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.995 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.886 ' ND2' HG22 ' A' ' 44' ' ' THR . 60.2 t30 -107.87 131.93 53.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.476 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.939 ' HE2' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -134.86 128.54 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 111.378 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.22 149.71 23.72 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.49 160.64 38.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.965 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.3 p -119.46 10.46 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.5 p -107.18 -161.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.719 ' O ' ' N ' ' A' ' 61' ' ' CYS . 18.8 t-20 -87.42 159.22 18.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.632 ' C ' ' O ' ' A' ' 59' ' ' ASN . 6.3 mt 13.27 51.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.719 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.9 OUTLIER -80.88 -3.87 52.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.762 ' OD1' ' HB3' ' A' ' 26' ' ' LYS . 1.4 t30 -117.19 70.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.687 ' OXT' HG23 ' A' ' 63' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.545 ' HE3' ' C ' ' A' ' 22' ' ' THR . 3.1 ttt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.756 0.313 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 1.4 mt-10 -108.49 138.2 45.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -117.53 -171.99 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.625 ' HE1' ' C ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -122.96 105.04 9.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.824 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.995 ' HD2' HG23 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -101.25 164.68 11.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.861 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.8 t -111.93 114.22 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.861 ' H ' HD13 ' A' ' 13' ' ' LEU . . . -68.65 -115.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.438 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 p -124.08 -31.21 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -127.82 1.63 6.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.402 ' O ' HD12 ' A' ' 13' ' ' LEU . . . -141.1 137.03 7.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.84 ' SG ' ' NH2' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -113.5 36.98 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.637 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 5.4 m170 -138.7 50.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.774 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.861 HD13 ' H ' ' A' ' 7' ' ' GLY . 3.8 mp -99.64 133.09 44.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.704 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -102.27 112.35 25.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.995 HG23 ' HD2' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -110.71 166.19 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.174 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.849 ' N ' HG12 ' A' ' 15' ' ' ILE . 94.3 m -120.59 111.45 17.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.695 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -72.8 -152.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.036 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -163.44 171.11 16.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -35.66 -46.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.266 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.07 -54.64 44.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.831 ' HB2' ' HB2' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -103.21 102.79 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.97 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.545 ' C ' ' HE3' ' A' ' 1' ' ' MET . 1.2 p -112.06 -4.05 14.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.821 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.5 m-85 -101.54 158.32 16.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.03 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 t -124.99 98.5 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.685 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 8.6 p90 -99.77 137.48 38.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.216 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.872 ' HG3' ' OD1' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -129.11 98.87 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.324 179.457 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.934 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 34.6 t90 -99.51 142.24 31.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.017 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.677 HD13 ' HG2' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -131.34 128.92 40.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.934 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 21.9 t-20 -109.33 105.34 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HZ1' ' HG2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -75.5 36.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.74 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.844 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 3.4 mm -129.11 -46.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.345 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.21 19.05 7.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.128 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.5 t30 54.46 24.45 5.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.497 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -93.78 122.98 36.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.84 ' NH2' ' SG ' ' A' ' 11' ' ' CYS . 23.7 mtm180 -126.45 142.26 51.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.717 ' CD2' ' CE3' ' A' ' 27' ' ' TRP . 10.2 m0 -104.76 87.08 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.808 HD22 ' OD1' ' A' ' 62' ' ' ASN . 5.5 mp -102.24 113.8 27.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.45 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . -178.93 -176.91 47.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.282 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.831 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.7 m -99.45 125.35 45.16 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.881 0.372 . . . . 0.0 110.984 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.813 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -118.08 164.87 14.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.196 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.934 ' HD2' ' H ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -73.97 -42.62 60.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.934 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 36.7 p -132.79 138.75 47.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.9 t -44.42 153.25 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.306 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.964 HG22 ' ND2' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -140.14 23.62 2.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.543 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.667 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.65 132.31 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.13 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.755 HG23 HG11 ' A' ' 51' ' ' VAL . 11.0 mt -136.09 90.84 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.12 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -99.46 102.11 13.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.0 p -126.64 -138.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.762 ' CH2' ' ND2' ' A' ' 50' ' ' ASN . 5.1 p-90 -97.01 -37.83 10.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.118 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.762 ' ND2' ' CH2' ' A' ' 49' ' ' TRP . 1.2 p-10 -121.35 -18.9 7.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.295 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.864 HG13 ' NE1' ' A' ' 27' ' ' TRP . 46.0 t -99.81 125.88 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.295 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.842 ' HE1' ' HD3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -133.72 100.52 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.964 ' ND2' HG22 ' A' ' 44' ' ' THR . 31.7 t30 -114.53 130.56 56.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.581 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.842 ' HD3' ' HE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -128.31 127.94 43.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.149 -179.687 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -99.64 149.14 23.6 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -144.04 160.92 40.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.661 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.3 OUTLIER -124.37 42.72 3.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.092 0.472 . . . . 0.0 110.854 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.726 ' HG1' ' HB3' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -130.79 176.18 8.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.587 ' O ' ' C ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -80.03 150.17 30.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.018 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.587 ' C ' ' O ' ' A' ' 59' ' ' ASN . 6.8 mt 20.07 60.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.726 ' HB3' ' HG1' ' A' ' 58' ' ' THR . 30.5 p -99.64 -22.75 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.872 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 5.3 t30 -90.65 73.17 6.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.001 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.787 ' CG ' ' HA ' ' A' ' 59' ' ' ASN . 2.6 ttp . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.82 0.343 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 43.6 mt-10 -105.61 161.38 14.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.62 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 19.9 m -138.96 -178.46 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.75 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -118.41 102.3 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.978 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -103.26 166.52 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 1.9 t -103.51 123.94 47.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.729 ' N ' HD11 ' A' ' 13' ' ' LEU . . . -71.05 -156.36 2.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.352 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.773 ' O ' HG22 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -83.1 -13.81 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.07 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -150.08 -4.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.443 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -125.36 163.56 19.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.622 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -132.61 34.4 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.952 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.58 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 46.3 m170 -135.57 45.17 2.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.729 HD11 ' N ' ' A' ' 7' ' ' GLY . 2.9 mp -99.67 131.77 45.44 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -99.13 106.77 19.0 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.797 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.978 ' HB ' ' NE ' ' A' ' 5' ' ' ARG . 1.3 tt -99.83 171.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.908 ' N ' HG12 ' A' ' 15' ' ' ILE . 22.3 m -134.11 107.19 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.054 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.87 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -58.58 170.96 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.763 179.795 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 20' ' ' GLU . 16.7 m -117.46 163.82 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -35.29 -26.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.977 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -74.83 -48.53 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.75 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.87 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -107.29 122.1 45.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.492 ' O ' ' HE2' ' A' ' 1' ' ' MET . 6.5 p -126.15 -4.6 6.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.984 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.75 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 5.1 m-85 -99.93 161.12 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.39 99.18 7.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.771 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.664 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 1.2 p90 -100.61 140.22 35.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.419 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.721 ' HG3' ' OD1' ' A' ' 62' ' ' ASN . 3.5 ttpt -135.48 97.26 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.131 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.936 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 18.5 t90 -100.92 143.5 30.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.657 HD12 ' H ' ' A' ' 29' ' ' ASN . 1.8 tp -133.22 134.61 44.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.067 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.936 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 60.9 t-20 -113.88 112.26 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.752 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.71 ' NZ ' ' HB3' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -76.35 10.42 2.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.515 HD11 HG22 ' A' ' 31' ' ' ILE . 25.6 mm -109.4 -55.37 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -104.56 24.07 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.527 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 28.5 t-20 36.25 27.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.985 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.876 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 17.7 tt0 -99.2 136.47 39.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 138.04 50.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.999 0.428 . . . . 0.0 111.542 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.73 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 10.1 m0 -99.93 86.53 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.285 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.751 ' HG ' HD22 ' A' ' 62' ' ' ASN . 5.5 mp -100.05 117.46 34.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.664 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 171.56 -166.3 39.3 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.064 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.641 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 17.9 m -103.01 150.51 23.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.008 0.433 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.75 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.53 151.67 44.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.088 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.505 ' HE2' ' H ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -66.38 -23.81 66.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.505 ' H ' ' HE2' ' A' ' 41' ' ' LYS . 10.2 p -138.89 -164.61 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.4 t -101.86 146.43 27.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.66 HG21 ' ND2' ' A' ' 53' ' ' ASN . 0.7 OUTLIER -134.14 29.78 3.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.859 ' HA ' HD21 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.6 133.53 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.94 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 7.5 mt -140.15 83.42 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.235 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.79 81.05 3.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.797 ' HG1' ' H ' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -100.2 -139.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.765 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.797 ' H ' ' HG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -93.59 -45.76 7.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.736 ' H ' HD21 ' A' ' 50' ' ' ASN . 0.0 OUTLIER -114.59 -11.72 12.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.979 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.805 HG13 HG23 ' A' ' 46' ' ' ILE . 12.4 t -102.78 139.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.526 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.573 ' HE2' ' NZ ' ' A' ' 26' ' ' LYS . 1.8 t80 -140.13 105.39 5.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.94 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -115.77 130.7 56.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -131.98 125.46 31.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.352 -179.669 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.563 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -100.06 151.11 21.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.851 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.38 172.72 12.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.46 7.62 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.822 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -113.68 148.54 36.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.787 ' HA ' ' CG ' ' A' ' 1' ' ' MET . 1.2 t-20 -39.17 159.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.627 ' C ' ' O ' ' A' ' 59' ' ' ASN . 39.1 mt 13.1 55.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.822 ' HB2' ' O ' ' A' ' 58' ' ' THR . 0.9 OUTLIER -81.45 -1.98 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.768 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.751 HD22 ' HG ' ' A' ' 37' ' ' LEU . 37.9 t30 -111.68 75.85 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.532 ' CG2' ' CD1' ' A' ' 4' ' ' TYR . 4.6 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.77 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.754 0.312 . . . . 0.0 111.255 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.607 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 43.4 mt-10 -99.78 132.56 45.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 28.0 m -108.82 -168.57 1.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.698 ' HD1' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -125.68 105.02 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.843 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.664 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.23 161.81 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.547 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.61 115.42 23.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.932 0.396 . . . . 0.0 111.101 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.8 34.84 2.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.385 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.611 ' CG1' ' N ' ' A' ' 9' ' ' SER . 0.6 OUTLIER 74.17 -58.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 111.119 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.611 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -97.28 -9.6 27.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.99 125.29 3.35 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.394 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.8 38.61 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.952 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.07 38.43 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.297 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.698 ' O ' ' HD1' ' A' ' 4' ' ' TYR . 2.8 mp -100.04 132.02 45.65 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -103.35 122.45 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 111.186 -179.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.678 HG12 ' N ' ' A' ' 16' ' ' THR . 0.1 OUTLIER -113.54 164.51 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.032 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.678 ' N ' HG12 ' A' ' 15' ' ' ILE . 51.3 m -125.72 107.29 10.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.992 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -99.49 106.31 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.739 ' O ' ' HB1' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -139.45 128.19 23.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.037 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.739 ' HB1' ' O ' ' A' ' 18' ' ' SER . . . 85.64 -36.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -67.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.801 ' CB ' ' HB3' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -100.89 154.08 18.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.579 179.597 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -137.2 -13.98 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.175 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.719 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 10.0 m-85 -112.23 162.23 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.232 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.59 95.27 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.584 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.866 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 2.7 p90 -100.74 148.43 24.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.358 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.912 ' HE2' ' CE2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -139.07 99.66 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.536 179.613 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.914 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 33.5 t90 -100.21 146.14 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.052 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.983 HD22 ' NH2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -133.67 131.85 40.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.016 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.914 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 49.0 t30 -105.0 118.53 36.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.968 ' HE2' ' HA ' ' A' ' 50' ' ' ASN . 21.8 mtmt -80.88 22.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -133.1 -62.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.294 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.599 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -92.6 21.78 5.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.505 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 25.4 t-20 37.95 22.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.67 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 2.4 mt-10 -89.22 128.89 35.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.724 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.983 ' NH2' HD22 ' A' ' 28' ' ' LEU . 1.9 ptp180 -125.56 134.81 51.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.019 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.866 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 13.5 m0 -99.89 84.76 2.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.629 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.618 ' CG ' HD22 ' A' ' 62' ' ' ASN . 7.7 mp -99.75 119.07 37.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.01 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.55 -166.95 39.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.801 ' HB3' ' CB ' ' A' ' 21' ' ' GLU . 34.3 m -100.51 150.05 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.957 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.76 167.15 22.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.01 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -32.86 23.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.725 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.56 144.75 44.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.708 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.3 t -61.74 148.25 43.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -139.99 25.85 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.849 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.76 139.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 1.065 HG22 HG13 ' A' ' 51' ' ' VAL . 1.9 mt -140.1 88.71 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.225 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -101.41 77.9 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.575 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 7.1 p -100.04 -124.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.739 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.887 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 2.7 p-90 -105.75 -49.14 3.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.968 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -109.27 -19.84 13.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.385 -179.491 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 1.065 HG13 HG22 ' A' ' 46' ' ' ILE . 5.2 t -99.85 132.07 46.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.901 0.381 . . . . 0.0 111.311 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.912 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 1.6 t80 -135.04 104.05 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.828 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.849 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 45.9 t30 -116.94 135.23 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.684 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.729 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -136.5 127.14 27.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.285 -179.77 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.85 153.34 19.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.09 164.52 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.029 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.61 HG22 ' HE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -124.9 4.11 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.5 178.41 4.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.621 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -66.96 158.17 31.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.095 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.619 ' C ' ' O ' ' A' ' 59' ' ' ASN . 48.8 mt 13.99 54.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.322 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.621 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -80.82 -3.92 52.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.985 0.421 . . . . 0.0 110.505 179.619 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.618 HD22 ' CG ' ' A' ' 37' ' ' LEU . 10.5 t30 -106.55 97.57 7.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.779 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.945 ' HE2' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.857 0.361 . . . . 0.0 111.254 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.975 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -129.77 140.92 50.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.55 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 88.8 m -107.89 172.64 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.747 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -116.33 100.99 8.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.609 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.807 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -89.87 173.41 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.817 ' SG ' ' NH2' ' A' ' 35' ' ' ARG . 2.2 t -120.39 112.92 19.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.695 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -68.54 -146.98 0.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.353 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 p -79.15 -40.52 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.969 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 t -133.9 21.23 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -140.66 150.26 21.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.51 15.94 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.349 . . . . 0.0 110.969 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.716 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 49.0 m170 -117.2 50.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.801 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.1 mp -100.38 123.68 44.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.795 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -99.81 108.36 20.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.714 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.491 ' C ' ' HG2' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -115.52 146.59 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.242 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.975 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 5.1 m -90.28 125.76 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.744 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.626 ' SG ' ' SD ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -93.32 146.64 23.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.0 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.18 -177.26 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.26 -11.7 23.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.176 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -81.29 -50.04 10.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.511 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.11 101.45 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 p -107.7 2.87 24.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.679 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.622 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 3.5 m-85 -108.91 147.9 31.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.233 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.945 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 42.2 m -115.0 101.95 9.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.205 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.723 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 28.5 p90 -99.87 129.57 45.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.049 0.452 . . . . 0.0 111.713 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 1.02 ' HB3' ' HB2' ' A' ' 62' ' ' ASN . 4.0 ptmt -123.03 97.75 5.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.875 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.939 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 68.1 t90 -101.77 145.87 28.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.348 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.749 HD13 ' HG3' ' A' ' 35' ' ' ARG . 11.8 tp -138.82 128.71 25.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.811 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.939 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 15.4 t-20 -107.9 113.53 26.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.028 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.642 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -78.46 15.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.805 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.853 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 5.1 mm -103.89 -61.2 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.55 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 29.1 t -102.55 -15.86 16.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 32' ' ' SER . 0.4 OUTLIER 87.98 16.73 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.64 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 4.7 tt0 -84.45 129.38 34.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.979 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -117.8 127.81 54.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.727 ' CE3' ' CE3' ' A' ' 27' ' ' TRP . 8.1 m0 -100.04 82.42 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.807 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 6.4 mp -104.11 122.62 45.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 177.09 -172.72 45.64 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 3.2 m -99.3 137.92 37.12 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.856 0.36 . . . . 0.0 111.034 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.622 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.97 168.83 18.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.032 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -80.19 -50.67 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.64 -158.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 16.0 t -116.34 135.28 54.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -113.28 23.44 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.78 ' HA ' HD21 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.75 123.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.771 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 1.117 HG23 HG13 ' A' ' 51' ' ' VAL . 20.8 mt -133.46 81.27 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.252 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.57 89.88 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.816 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.59 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 1.9 p -109.28 -132.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.86 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 2.1 p-90 -98.74 -49.5 4.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.674 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.86 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -110.91 -13.8 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.139 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 1.117 HG13 HG23 ' A' ' 46' ' ' ILE . 14.6 t -102.35 139.34 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.369 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.536 ' HE1' ' HB2' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -140.17 106.14 5.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.951 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 2.8 t30 -117.13 123.0 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.715 ' HE2' ' HZ3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -124.66 126.82 46.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.91 0.386 . . . . 0.0 111.51 -179.575 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 m -100.45 147.03 26.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.496 ' C ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -140.26 -177.96 5.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.496 HG23 ' C ' ' A' ' 56' ' ' CYS . 6.1 p -140.16 2.57 1.91 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.322 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.706 ' HG1' ' N ' ' A' ' 59' ' ' ASN . 0.2 OUTLIER -108.39 172.45 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.168 -179.818 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.706 ' N ' ' HG1' ' A' ' 58' ' ' THR . 0.1 OUTLIER -58.34 155.52 11.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.623 ' C ' ' O ' ' A' ' 59' ' ' ASN . 1.2 mt 16.09 51.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.658 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.6 OUTLIER -76.86 -28.5 55.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 1.02 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 19.9 p-10 -107.23 106.79 17.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.918 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.612 ' HG2' ' HA ' ' A' ' 59' ' ' ASN . 13.4 tmm? . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.82 0.343 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -105.84 143.2 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.98 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.83 -177.59 3.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.032 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.537 ' HE1' ' C ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -129.87 106.65 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.758 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.617 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -100.79 177.87 4.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 45.1 t -133.51 109.07 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -75.29 -171.15 28.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.548 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.732 HG11 ' N ' ' A' ' 9' ' ' SER . 10.9 p -66.57 -40.23 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 111.278 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.732 ' N ' HG11 ' A' ' 8' ' ' VAL . 5.0 t -116.08 0.6 13.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.98 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.566 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -129.46 148.61 18.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.691 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -136.07 18.07 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.023 0.44 . . . . 0.0 110.617 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.602 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -136.02 48.63 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.388 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.93 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -98.85 128.15 44.97 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -179.45 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.73 122.45 42.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.992 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.666 HG13 ' N ' ' A' ' 16' ' ' THR . 0.3 OUTLIER -111.78 156.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.814 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.666 ' N ' HG13 ' A' ' 15' ' ' ILE . 4.4 m -112.3 104.61 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.041 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.052 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -75.94 137.25 40.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.744 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 20' ' ' GLU . 29.2 p -88.3 159.67 17.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.986 0.422 . . . . 0.0 110.987 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -29.88 -37.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -52.11 -50.75 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 1.052 ' HG3' ' HB3' ' A' ' 17' ' ' CYS . 3.7 pt-20 -114.44 138.59 50.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.432 ' O ' ' HE1' ' A' ' 1' ' ' MET . 0.1 OUTLIER -140.11 -1.14 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.689 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-30 -99.8 153.94 18.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.846 ' SG ' ' HB3' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -118.28 103.34 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.716 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 2.8 p90 -99.86 132.02 45.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.025 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.76 ' HZ3' ' HA ' ' A' ' 62' ' ' ASN . 8.7 ttpt -132.86 99.69 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.729 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.934 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 29.6 t90 -101.43 144.8 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.531 HD13 ' H ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -133.08 133.65 43.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.934 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 10.8 t-20 -114.72 116.57 28.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HB3' ' HZ3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -78.44 -2.99 41.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -105.85 -49.27 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.574 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 41.4 t -93.79 2.72 56.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 32' ' ' SER . 0.7 OUTLIER 48.44 14.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.913 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 1.1 tt0 -95.22 145.93 24.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.717 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.503 ' H ' ' HD2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -129.68 131.62 46.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.716 ' HB3' ' HE2' ' A' ' 25' ' ' TYR . 9.7 m0 -99.91 86.05 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.789 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.507 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 9.6 mp -105.87 129.45 54.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.01 -168.0 41.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.63 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.562 ' HB2' ' OE2' ' A' ' 21' ' ' GLU . 4.9 m -99.28 141.82 31.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.689 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -138.5 153.9 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.227 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.842 ' HD2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.88 -18.01 54.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.682 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.708 ' HG1' ' N ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -139.12 -170.57 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.634 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.708 ' N ' ' HG1' ' A' ' 42' ' ' THR . 29.1 t -101.91 145.72 28.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.054 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.651 HG21 HD22 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -134.45 30.55 3.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.801 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -45.6 128.03 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.85 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 8.1 mt -132.69 80.86 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.637 ' C ' ' OD1' ' A' ' 47' ' ' ASP . 2.3 t0 -93.49 100.22 12.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.509 ' HG1' ' N ' ' A' ' 49' ' ' TRP . 72.7 p -120.57 -129.22 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.666 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -109.43 -39.07 5.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.687 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.799 ' H ' HD21 ' A' ' 50' ' ' ASN . 0.0 OUTLIER -114.27 -19.58 11.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.963 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.846 HG13 ' HE1' ' A' ' 27' ' ' TRP . 24.1 t -104.25 139.3 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.443 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -140.0 100.29 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.85 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -112.39 125.74 54.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.41 179.53 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.823 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -127.4 128.65 46.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.552 -179.514 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.823 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -100.01 149.21 23.7 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.38 174.49 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -137.54 29.9 2.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.609 ' HG1' ' HB2' ' A' ' 61' ' ' CYS . 30.7 p -139.96 -177.79 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.039 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.705 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.6 OUTLIER -68.93 162.93 25.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 59' ' ' ASN . 18.2 mt 13.92 51.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.705 ' N ' ' O ' ' A' ' 59' ' ' ASN . 1.6 t -90.02 2.59 55.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.846 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 0.3 OUTLIER -121.28 32.92 5.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.968 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.864 ' SD ' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.762 0.315 . . . . 0.0 111.225 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 1.001 ' HG2' ' HA ' ' A' ' 16' ' ' THR . 8.6 mt-10 -99.98 142.3 31.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.735 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.7 m -123.52 168.19 12.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.765 ' HB2' ' O ' ' A' ' 62' ' ' ASN . 0.4 OUTLIER -101.13 92.15 4.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.609 179.791 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 1.084 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -89.97 170.54 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.713 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 3.3 t -112.9 135.62 53.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.751 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.808 ' N ' HD11 ' A' ' 13' ' ' LEU . . . -95.26 -133.23 7.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.554 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.578 ' CG1' ' N ' ' A' ' 9' ' ' SER . 2.0 p -86.61 -49.74 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.273 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.578 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 41.1 t -124.83 8.42 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.022 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.74 149.84 18.86 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.581 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -127.02 20.37 6.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.965 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.608 ' HA ' ' CD1' ' A' ' 4' ' ' TYR . 1.2 m170 -126.0 52.23 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.805 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.872 HD12 ' O ' ' A' ' 5' ' ' ARG . 3.3 mp -99.67 131.55 45.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.046 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.884 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -100.26 101.62 12.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.7 ' CD1' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -106.84 135.6 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 1.001 ' HA ' ' HG2' ' A' ' 2' ' ' GLU . 48.3 m -96.11 114.14 25.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.074 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 3.6 m -116.95 137.24 52.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -153.96 151.39 29.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 72.04 -31.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.557 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -108.17 -62.37 1.46 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.605 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 1.074 ' HG3' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -110.44 136.99 48.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.631 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.883 HG23 ' HZ2' ' A' ' 41' ' ' LYS . 81.0 p -134.57 -8.6 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.165 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.773 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 2.8 m-85 -104.74 154.4 20.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.969 0.414 . . . . 0.0 111.233 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.791 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 60.8 m -110.67 95.91 5.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.145 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.926 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 10.1 p90 -99.8 137.78 37.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.031 0.443 . . . . 0.0 111.497 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.701 ' NZ ' ' CE2' ' A' ' 52' ' ' TYR . 2.7 ttpt -135.18 97.04 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.393 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.936 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 41.2 t90 -99.78 131.49 45.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.031 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.95 HD13 ' N ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -126.55 123.19 37.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.321 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.95 ' N ' HD13 ' A' ' 28' ' ' LEU . 1.1 t-20 -107.39 110.18 22.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.78 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.83 -2.05 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.601 ' H ' ' ND2' ' A' ' 29' ' ' ASN . 41.1 mm -100.7 -60.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.236 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.714 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.5 t -95.93 22.82 6.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 32' ' ' SER . 0.0 OUTLIER 35.47 19.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.04 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.714 ' N ' ' O ' ' A' ' 32' ' ' SER . 2.0 mt-10 -86.38 134.89 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.613 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.631 ' HG2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -133.77 128.76 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.946 0.403 . . . . 0.0 111.355 -179.659 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.926 ' HB3' ' HE2' ' A' ' 25' ' ' TYR . 7.9 m0 -102.06 87.72 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.47 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 1.084 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 2.7 mp -104.01 127.78 51.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.434 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 159.94 -164.4 34.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.013 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.25 132.52 44.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.757 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -131.58 160.88 34.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.253 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.883 ' HZ2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -84.35 -53.07 5.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.684 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 p -104.26 135.27 46.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.705 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 5.1 t -64.64 134.35 54.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.789 HG22 ' CG ' ' A' ' 53' ' ' ASN . 1.8 t -119.18 34.87 5.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.678 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.94 128.43 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.954 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 68.2 mt -140.03 75.44 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 79.06 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.462 HG23 HG23 ' A' ' 46' ' ' ILE . 45.5 p -99.96 -137.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.755 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.67 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 1.2 p-90 -100.52 -35.83 9.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.751 HD21 ' H ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -113.19 -28.16 7.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.251 -179.812 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.903 HG11 ' NE1' ' A' ' 27' ' ' TRP . 40.8 t -99.77 142.81 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.701 ' CE2' ' NZ ' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -137.56 95.14 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.803 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.954 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -102.95 115.47 30.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.358 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -119.73 120.78 37.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 0.0 111.345 -179.561 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.24 142.29 31.92 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.0 173.28 11.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.857 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.73 0.52 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.68 HG21 ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -103.26 161.79 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.864 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -50.6 153.96 1.49 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 59' ' ' ASN . 76.3 mt 15.49 47.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.732 ' N ' ' O ' ' A' ' 59' ' ' ASN . 2.7 t -70.02 -13.02 62.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.871 HD22 HD22 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -103.88 103.66 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.881 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.708 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 4.6 ttp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.799 0.333 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.823 ' HG2' ' HA ' ' A' ' 16' ' ' THR . 38.7 mt-10 -115.49 150.26 36.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.698 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.7 m -111.63 178.47 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.615 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -120.63 108.16 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.577 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.948 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 8.4 ptt85 -106.74 166.57 10.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.16 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 t -118.44 106.79 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.48 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -66.16 -158.79 0.61 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.572 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -91.57 -12.95 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.796 0.331 . . . . 0.0 111.178 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.38 -17.49 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.69 154.32 20.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.612 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.86 20.5 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.829 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.615 ' CD2' ' CE1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -133.14 48.46 2.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.678 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.48 ' CD1' ' H ' ' A' ' 7' ' ' GLY . 4.5 mp -99.66 122.71 43.07 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.985 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.959 ' HE2' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -99.49 114.43 27.39 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.625 HG22 ' HD3' ' A' ' 5' ' ' ARG . 1.1 tt -107.48 156.96 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.823 ' HA ' ' HG2' ' A' ' 2' ' ' GLU . 58.7 m -99.05 132.37 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.962 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.708 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -97.81 142.28 29.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -83.31 166.81 18.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.73 -35.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -50.08 66.89 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.651 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 23.1 mt-10 -100.98 116.11 32.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.835 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 t -130.78 5.59 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.82 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 1.2 m-85 -100.99 161.01 13.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.695 ' HB3' ' HB3' ' A' ' 62' ' ' ASN . 1.3 m -123.29 100.61 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.47 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.462 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.6 OUTLIER -102.55 135.93 43.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 111.523 -179.406 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.598 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -127.69 97.02 4.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.207 179.395 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.847 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 50.4 t90 -101.78 143.04 32.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.144 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.756 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -135.34 134.4 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.957 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.828 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 27.5 t-20 -112.19 112.91 24.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -83.64 17.7 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.552 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 7.6 mm -115.03 -39.75 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.532 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 2.5 t -111.94 -20.29 12.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.9 t-20 85.73 15.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.648 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 4.4 tt0 -101.65 137.57 39.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.899 ' HG3' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -128.9 139.92 51.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.808 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 12.0 m0 -100.44 86.57 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.721 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.948 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 5.3 mp -104.74 127.29 52.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.462 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 166.51 -162.72 36.37 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.698 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 57.7 m -99.58 139.84 34.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.82 0.343 . . . . 0.0 110.816 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.82 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -137.73 146.87 44.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.078 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.883 ' HD2' HG21 ' A' ' 42' ' ' THR . 0.0 OUTLIER -70.64 -17.63 62.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.883 HG21 ' HD2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -138.61 -155.92 0.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.721 ' N ' ' HG1' ' A' ' 42' ' ' THR . 39.3 t -135.39 140.42 44.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.947 HG23 ' ND2' ' A' ' 53' ' ' ASN . 1.1 t -131.08 34.98 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.874 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -37.24 131.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.761 HG21 HG11 ' A' ' 51' ' ' VAL . 7.0 mt -137.83 90.22 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.35 101.51 12.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.585 ' HG1' ' N ' ' A' ' 49' ' ' TRP . 30.0 p -127.42 -137.3 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.53 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.664 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -106.49 -21.63 13.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.79 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.765 HD21 ' H ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -123.55 -32.02 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.772 HG12 ' NE1' ' A' ' 27' ' ' TRP . 54.4 t -99.7 135.98 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -140.09 96.84 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.772 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.947 ' ND2' HG23 ' A' ' 44' ' ' THR . 48.6 t30 -113.14 125.12 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.557 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.467 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -131.68 126.84 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 111.56 -179.676 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.69 151.81 21.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.786 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.606 ' SG ' ' OG1' ' A' ' 58' ' ' THR . 0.0 OUTLIER -150.08 159.4 44.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.046 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.736 HG21 ' HE1' ' A' ' 23' ' ' PHE . 4.1 p -115.07 51.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.035 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.845 ' O ' ' HB3' ' A' ' 61' ' ' CYS . 1.0 OUTLIER -139.58 132.96 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.729 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -40.23 153.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.959 HD12 ' HE2' ' A' ' 14' ' ' LYS . 77.9 mt 12.02 52.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.845 ' HB3' ' O ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -98.14 -21.87 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.695 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 1.7 p-10 -99.53 98.78 9.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.954 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.777 0.322 . . . . 0.0 111.165 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.954 ' N ' ' HG2' ' A' ' 1' ' ' MET . 9.0 mt-10 -103.74 156.06 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.041 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 59.7 m -123.42 -179.45 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.578 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.845 ' O ' HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -129.63 109.93 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.606 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.954 ' HD3' HG23 ' A' ' 15' ' ' ILE . 10.8 ptt180 -93.83 164.96 12.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -121.98 146.28 47.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.742 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.03 -159.72 12.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.576 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 p -88.22 -30.27 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.341 . . . . 0.0 111.163 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.08 0.09 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.26 123.29 1.97 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.582 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -114.49 37.91 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.495 ' C ' ' HE1' ' A' ' 4' ' ' TYR . 18.5 m80 -135.04 50.68 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.779 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.7 mp -99.7 129.09 45.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.698 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -103.59 113.29 26.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.954 HG23 ' HD3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -99.72 150.33 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.715 179.769 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.53 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -104.83 123.15 47.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.987 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.757 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -116.67 110.72 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.859 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.626 ' C ' ' H ' ' A' ' 20' ' ' GLU . 1.2 m -148.86 135.11 19.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 68.04 -29.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.626 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -101.29 -63.61 1.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.646 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.849 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -111.25 150.63 29.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.58 -10.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.721 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.726 ' CE1' HG21 ' A' ' 57' ' ' THR . 2.2 m-30 -110.43 163.45 13.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.076 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.831 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 5.9 m -125.69 97.58 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.303 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.748 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 4.2 p90 -100.69 127.33 47.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.475 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.894 ' HB3' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -126.72 104.96 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.287 179.456 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.944 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 42.2 t90 -99.54 145.14 27.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.057 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -130.83 120.2 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.944 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -100.03 110.18 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.747 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -79.85 11.06 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 mm -114.38 -53.06 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.647 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 1.0 OUTLIER -98.1 -15.89 19.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.647 ' HB3' ' O ' ' A' ' 32' ' ' SER . 26.0 t30 78.77 12.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.829 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 37.4 tt0 -87.87 132.86 34.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.796 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.634 ' HD3' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -124.8 140.86 52.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.048 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.748 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 8.5 m0 -106.94 78.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.784 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.894 ' HG ' ' HB3' ' A' ' 26' ' ' LYS . 1.2 mp -99.95 106.9 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.15 -167.06 32.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.92 ' SG ' HD13 ' A' ' 15' ' ' ILE . 3.6 m -99.44 138.11 36.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 111.035 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.08 176.16 8.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -93.88 -53.29 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.816 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.1 p -110.08 140.73 43.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.783 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.0 t -62.87 147.63 49.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.918 HG22 ' ND2' ' A' ' 53' ' ' ASN . 3.4 t -132.92 30.27 4.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.823 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.91 132.02 1.3 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 1.038 HG23 HG13 ' A' ' 51' ' ' VAL . 54.2 mt -134.35 87.25 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.2 84.27 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.455 ' OG1' ' HB ' ' A' ' 51' ' ' VAL . 48.8 p -105.45 -140.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.626 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.676 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -100.49 -35.6 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.807 ' H ' HD21 ' A' ' 50' ' ' ASN . 0.0 OUTLIER -118.01 -22.81 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.095 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 1.038 HG13 HG23 ' A' ' 46' ' ' ILE . 3.0 t -100.46 138.63 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.16 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -140.03 102.58 4.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.234 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.918 ' ND2' HG22 ' A' ' 44' ' ' THR . 31.1 t30 -110.5 132.26 54.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.335 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.757 ' HE2' ' O ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -134.95 123.51 23.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.207 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.74 155.46 17.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.77 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -145.64 169.23 18.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.944 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.726 HG21 ' CE1' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -134.91 24.03 3.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.674 ' OG1' ' SG ' ' A' ' 61' ' ' CYS . 25.6 p -124.64 154.41 40.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.8 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.625 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 4.8 t-20 -34.03 132.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.786 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.585 ' CD2' ' O ' ' A' ' 3' ' ' CYS . 8.7 mt 21.57 45.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.674 ' SG ' ' OG1' ' A' ' 58' ' ' THR . 7.9 t -64.24 0.65 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.779 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -121.91 81.54 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 1.013 ' HE2' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.81 0.338 . . . . 0.0 111.112 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.941 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.7 mp0 -107.26 159.74 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 33.4 m -125.38 -173.11 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.846 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -126.17 105.6 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.676 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -95.17 173.73 7.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 14.9 t -127.21 118.09 23.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -73.57 -176.85 33.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.652 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.604 ' O ' HG22 ' A' ' 8' ' ' VAL . 4.7 p -63.0 -12.85 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 111.224 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -148.22 -12.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.679 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -112.32 147.36 18.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -129.35 26.51 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.846 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 23.6 m80 -135.22 49.06 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.665 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.676 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.2 mp -99.71 132.14 45.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.184 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -99.8 115.95 30.74 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.046 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.692 ' CG1' ' N ' ' A' ' 16' ' ' THR . 0.7 OUTLIER -111.37 167.15 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.894 0.378 . . . . 0.0 111.0 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.941 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 1.3 m -118.45 116.28 26.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.604 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -80.87 147.32 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -81.18 167.43 19.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.003 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.39 -28.79 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' OE2' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -67.89 -48.17 66.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.693 ' HB3' ' HZ1' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -105.92 123.35 47.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.449 ' O ' ' CE ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -129.57 8.66 5.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.678 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 3.5 m-85 -104.48 153.19 21.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 1.013 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 17.6 m -120.1 102.51 8.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.662 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.654 ' CE2' ' O ' ' A' ' 36' ' ' TRP . 17.3 p90 -102.1 132.33 48.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.892 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -128.31 101.72 6.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.509 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.927 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 46.2 t90 -101.88 144.36 30.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 28' ' ' LEU . 2.3 tp -134.52 135.36 42.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.927 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 38.1 t30 -113.46 119.32 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -83.83 3.85 31.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.695 HG13 HD21 ' A' ' 50' ' ' ASN . 20.7 mm -107.71 -59.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.45 ' HB3' HD21 ' A' ' 29' ' ' ASN . 36.1 t -95.6 2.28 54.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 29' ' ' ASN . 39.6 t30 56.21 18.55 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.668 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 3.5 mt-10 -81.75 136.24 35.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.51 120.48 35.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.045 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.756 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 7.7 m0 -99.92 77.58 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.819 HD21 ' O ' ' A' ' 4' ' ' TYR . 7.4 mp -100.74 137.67 38.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.73 -171.54 38.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.624 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 66.7 m -99.41 142.17 31.24 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.813 0.34 . . . . 0.0 110.782 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.678 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.78 161.56 37.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.693 ' HZ1' ' HB3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -83.68 -14.7 51.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.013 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.731 ' HG1' ' N ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -139.42 -154.67 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.981 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.731 ' N ' ' HG1' ' A' ' 42' ' ' THR . 32.3 t -129.49 138.47 51.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.813 ' O ' HG13 ' A' ' 46' ' ' ILE . 3.2 t -127.33 28.76 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.693 ' CA ' HD21 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -33.84 136.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.016 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.813 HG13 ' O ' ' A' ' 44' ' ' THR . 6.4 mt -140.29 84.87 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.202 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.62 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 1.1 p-10 -96.64 82.64 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.474 HG23 HG22 ' A' ' 46' ' ' ILE . 3.3 p -105.57 -142.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.667 ' CD2' ' OD1' ' A' ' 50' ' ' ASN . 3.9 p-90 -97.33 -31.75 12.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.042 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.695 HD21 HG13 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -120.51 -23.46 6.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.131 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.713 ' CG1' ' HE1' ' A' ' 27' ' ' TRP . 18.9 t -99.52 138.21 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.161 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -140.25 98.72 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.748 ' ND2' ' C ' ' A' ' 44' ' ' THR . 21.6 t30 -113.53 132.25 55.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.484 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.775 ' HE3' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -134.0 128.97 35.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.307 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.51 148.38 25.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.034 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -135.73 158.52 44.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.814 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.7 p -111.78 -3.46 14.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.058 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.763 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -103.44 146.2 28.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.636 ' OD1' ' N ' ' A' ' 60' ' ' LEU . 7.0 t30 -43.94 156.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.772 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.636 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 1.1 mt 21.57 53.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.763 ' HB2' ' O ' ' A' ' 58' ' ' THR . 7.3 t -96.58 35.35 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.892 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -148.34 98.98 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.801 ' HE1' ' C ' ' A' ' 22' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.816 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.4 mt-10 -118.97 143.58 46.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.869 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.9 m -109.17 -179.28 3.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.645 ' HB3' ' O ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -124.16 106.01 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.912 ' HG2' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -98.93 161.56 13.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 6.4 t -107.99 120.34 42.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.921 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.647 ' N ' HD12 ' A' ' 13' ' ' LEU . . . -88.25 177.36 45.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.543 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.624 HG11 ' H ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -48.29 -62.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 111.123 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.624 ' H ' HG11 ' A' ' 8' ' ' VAL . 43.9 t -110.19 25.42 11.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.581 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -149.27 155.39 26.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -138.63 20.34 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 110.823 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.416 ' HD2' ' HE2' ' A' ' 4' ' ' TYR . 49.3 m80 -129.73 50.6 2.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 7' ' ' GLY . 3.0 mp -99.41 127.11 45.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.808 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.62 116.23 31.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 -179.67 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.912 HG22 ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -112.21 139.82 34.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.799 179.786 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.816 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 99.3 m -92.69 105.66 17.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.694 ' SG ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -69.25 131.14 44.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.498 ' HG ' ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -61.93 163.72 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.39 -22.25 4.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.79 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.573 ' OE2' ' CD ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -69.77 -52.58 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.605 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 3.6 pt-20 -106.76 121.63 44.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.824 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.801 ' C ' ' HE1' ' A' ' 1' ' ' MET . 10.1 p -129.97 24.23 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.74 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 13.7 m-85 -108.9 152.12 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.958 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.75 97.71 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.536 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -100.81 123.91 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.495 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.904 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -119.47 101.73 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.085 179.367 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.915 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 55.2 t90 -99.55 144.94 28.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.093 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.935 HD11 ' N ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -132.72 130.01 39.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.935 ' N ' HD11 ' A' ' 28' ' ' LEU . 23.9 t-20 -109.48 99.87 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -70.48 29.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.574 ' H ' ' C ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -119.38 -69.69 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.867 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 5.3 t -90.01 -16.77 29.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.867 ' HB3' ' O ' ' A' ' 32' ' ' SER . 6.2 t30 88.29 23.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.963 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.877 ' HG3' ' HZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -103.7 138.62 40.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.904 ' HE ' HD13 ' A' ' 28' ' ' LEU . 1.9 mtt180 -127.72 141.59 51.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.095 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.757 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 9.5 m0 -99.93 81.7 2.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.717 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.807 ' HG ' HD22 ' A' ' 62' ' ' ASN . 9.0 mp -99.9 122.59 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.536 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 174.8 -167.36 39.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.549 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.869 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 67.1 m -99.48 142.0 31.52 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.795 0.331 . . . . 0.0 110.819 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.74 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.04 162.09 36.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.573 ' CD ' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -77.64 -37.44 50.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.685 179.792 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -126.27 -175.15 3.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.601 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 27.0 t -100.35 143.7 30.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.793 ' O ' HG21 ' A' ' 44' ' ' THR . 1.4 t -131.55 37.78 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.645 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.798 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -44.93 132.74 6.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.919 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 67.5 mt -138.64 75.55 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.8 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.15 86.32 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.206 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 22.0 p -105.45 -127.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.787 ' CE3' ' ND2' ' A' ' 50' ' ' ASN . 2.3 p-90 -106.59 -44.82 4.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.574 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.803 ' H ' HD21 ' A' ' 50' ' ' ASN . 0.0 OUTLIER -108.18 -21.91 12.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.712 ' CG1' ' HE1' ' A' ' 27' ' ' TRP . 64.9 t -100.02 141.06 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.389 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 52' ' ' TYR . 1.7 t80 -140.31 101.77 4.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.919 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 6.3 t30 -112.96 123.1 49.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.389 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HD2' ' HE2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -129.23 124.06 33.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 111.472 -179.516 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.81 152.45 20.11 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.7 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.1 149.02 45.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.49 21.11 17.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.53 ' O ' ' HG3' ' A' ' 1' ' ' MET . 58.3 p -114.08 -153.11 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.734 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -100.07 158.5 15.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.592 ' C ' ' O ' ' A' ' 59' ' ' ASN . 12.3 mt 18.0 43.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.734 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -79.52 24.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.774 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.904 ' HA ' ' HD2' ' A' ' 26' ' ' LYS . 62.0 t-20 -137.43 49.72 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.91 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.964 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 14.7 tmm? . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.832 0.348 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.813 ' OE2' HG23 ' A' ' 16' ' ' THR . 3.4 mp0 -109.78 132.75 53.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.778 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 18.5 m -105.33 -179.2 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.865 ' CD1' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -129.27 109.28 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.755 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.943 ' HG2' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -112.84 163.57 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 -179.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 5.0 t -101.99 121.74 42.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.637 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.884 ' N ' HD12 ' A' ' 13' ' ' LEU . . . -79.02 -159.12 14.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.666 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 9' ' ' SER . 3.8 p -62.74 -53.47 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.214 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.614 ' H ' HG12 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -120.63 -4.13 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.549 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -113.22 152.72 17.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -126.89 13.59 7.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.896 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -121.24 51.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.042 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.884 HD12 ' N ' ' A' ' 7' ' ' GLY . 4.6 mp -99.44 124.24 44.41 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.734 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.61 109.74 22.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.943 HG22 ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -100.15 158.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.94 ' N ' HG13 ' A' ' 15' ' ' ILE . 16.0 m -111.62 122.08 46.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.815 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -88.98 155.75 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.589 ' O ' ' N ' ' A' ' 20' ' ' GLU . 2.5 m -101.9 157.77 16.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -27.39 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -62.75 -53.18 58.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.815 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -104.29 121.3 43.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.6 t -135.04 0.68 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-30 -101.11 156.45 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.964 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 17.9 m -116.08 103.01 10.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.707 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.772 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 1.2 p90 -99.87 125.06 45.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.025 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.628 ' HD3' ' HD2' ' A' ' 54' ' ' LYS . 3.8 ptmt -124.52 97.67 5.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.939 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 21.4 t90 -104.82 147.19 27.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.814 HD12 ' CZ ' ' A' ' 35' ' ' ARG . 26.2 tp -135.72 138.54 42.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.066 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.939 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 9.2 t-20 -115.91 109.39 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -80.96 23.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.405 ' H ' ' C ' ' A' ' 29' ' ' ASN . 7.3 mm -128.95 -36.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.293 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.798 ' HB3' ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -116.6 -7.23 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.1 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 72.3 10.99 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.817 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.863 ' HB3' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.05 149.26 43.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.663 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.814 ' CZ ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -139.76 116.98 11.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.866 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.834 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 8.4 m0 -99.6 72.02 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.755 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.624 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 7.4 mp -106.21 129.43 54.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.811 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.09 -158.68 31.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 74.4 m -99.67 138.24 37.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.953 0.406 . . . . 0.0 111.005 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.65 156.38 46.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.035 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.614 ' HE2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -81.31 -35.52 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -174.49 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.743 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 t -111.72 138.47 48.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.994 HG23 ' ND2' ' A' ' 53' ' ' ASN . 5.7 t -129.7 31.98 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.836 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.11 128.13 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.669 ' H ' ' HB3' ' A' ' 53' ' ' ASN . 7.1 mt -132.66 86.62 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -100.69 84.01 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.392 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.0 p -100.07 -132.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.647 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -109.16 -30.05 8.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 0.0 110.756 179.656 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.756 HD21 ' H ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -116.22 -27.26 6.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.029 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.783 HG12 ' CD1' ' A' ' 27' ' ' TRP . 2.2 t -103.57 140.06 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.447 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.513 ' OH ' ' HE2' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -140.16 105.35 5.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.237 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.994 ' ND2' HG23 ' A' ' 44' ' ' THR . 41.5 t30 -117.88 125.89 51.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.479 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.628 ' HD2' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -126.28 130.05 50.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.403 -179.493 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.74 143.64 29.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.661 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.21 171.19 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.491 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -136.05 22.72 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 1.006 HG21 ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -126.61 164.37 21.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.916 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.679 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -52.56 148.19 7.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.865 HD22 ' CD1' ' A' ' 4' ' ' TYR . 3.9 mt 18.3 47.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.721 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 1.006 ' SG ' HG21 ' A' ' 58' ' ' THR . 2.9 t -65.52 -22.36 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.202 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.721 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 20.0 p-10 -124.8 133.87 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.915 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.891 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.859 0.361 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.699 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -101.51 152.38 20.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.049 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 17.7 m -114.42 -172.31 2.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.767 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.669 ' CD1' ' O ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -127.05 101.44 6.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.848 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -95.89 168.22 10.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.787 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 10' ' ' GLY . 3.9 t -114.14 123.22 49.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.14 -129.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.27 -17.47 6.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 111.184 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -131.52 -0.28 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -147.09 170.88 27.91 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.491 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.507 ' O ' ' OXT' ' A' ' 63' ' ' THR . 0.0 OUTLIER -136.86 36.08 2.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.73 0.3 . . . . 0.0 110.877 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.75 ' C ' HD23 ' A' ' 13' ' ' LEU . 2.4 m170 -133.72 52.71 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.759 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.924 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -99.42 127.64 45.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.643 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.726 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -100.41 112.17 24.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.907 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.848 ' CG2' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -112.24 163.16 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.276 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.813 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.5 m -101.82 132.35 47.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.621 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 1.8 m -107.35 110.36 22.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.989 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.8 t -56.35 167.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.13 -22.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -49.46 45.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.799 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -107.15 115.99 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.88 ' O ' ' HE3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -125.16 -4.76 7.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.802 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.683 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.9 m-85 -101.86 148.34 25.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.8 m -112.93 101.55 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 8.0 p90 -100.48 116.92 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.859 ' HB2' ' HZ2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -115.9 102.29 9.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.953 ' NE1' HG12 ' A' ' 51' ' ' VAL . 28.0 t90 -100.28 137.14 39.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 28' ' ' LEU . 8.2 tp -125.12 131.71 53.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 111.073 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.938 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 3.1 t-20 -112.08 115.61 29.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.984 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 1.76 29.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.467 HD13 HG21 ' A' ' 31' ' ' ILE . 1.6 mm -103.52 -46.32 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.22 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -110.28 6.66 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.6 HD22 HH12 ' A' ' 35' ' ' ARG . 35.5 t30 51.77 19.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.58 ' C ' ' HD3' ' A' ' 35' ' ' ARG . 3.5 tt0 -90.4 136.21 33.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.725 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.873 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -124.95 127.54 47.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 -179.7 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.727 ' CE3' ' CD2' ' A' ' 27' ' ' TRP . 12.8 m0 -101.6 85.11 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.655 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 4' ' ' TYR . 7.4 mp -105.72 114.78 29.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.991 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . -164.35 -178.1 37.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.366 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.799 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 4.0 m -99.32 130.28 45.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.884 0.373 . . . . 0.0 110.972 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.684 ' CA ' ' HZ1' ' A' ' 41' ' ' LYS . . . -132.59 168.01 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.823 ' NZ ' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -79.78 -40.15 29.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.757 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.428 ' HB ' ' H ' ' A' ' 43' ' ' CYS . 2.1 p -111.75 -154.81 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.839 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 4.4 t -117.96 145.27 44.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.931 HG23 HD22 ' A' ' 53' ' ' ASN . 6.8 t -125.77 30.01 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.761 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -46.57 130.64 11.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.694 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 9.2 mt -136.89 84.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.99 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -94.87 91.82 6.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.501 ' HG1' ' H ' ' A' ' 51' ' ' VAL . 49.2 p -112.37 -133.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.495 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.667 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -104.82 -40.35 5.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.734 179.685 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.754 HD21 ' N ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -112.87 -22.14 10.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.931 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.953 HG12 ' NE1' ' A' ' 27' ' ' TRP . 13.6 t -100.68 136.33 32.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.558 ' HE2' ' HE2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -139.97 99.14 3.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.931 HD22 HG23 ' A' ' 44' ' ' THR . 17.0 t30 -110.6 129.71 55.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HD2' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -126.91 126.59 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.526 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.6 m -99.92 143.68 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.112 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.32 172.74 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.676 HG23 ' CE2' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -140.03 14.94 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.129 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.643 ' O ' ' SD ' ' A' ' 1' ' ' MET . 41.0 p -108.02 -151.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.891 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 27.0 t30 -99.01 147.61 24.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.997 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 59' ' ' ASN . 1.2 mt 17.35 46.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.696 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.6 OUTLIER -78.55 4.17 14.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.678 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.767 ' OD1' ' HG2' ' A' ' 26' ' ' LYS . 1.2 m-20 -99.9 -157.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.999 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.669 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.676 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.676 ' N ' ' HG2' ' A' ' 1' ' ' MET . 18.9 mp0 -121.15 164.91 16.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.699 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.8 m -135.32 -169.56 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.896 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -131.27 109.84 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.984 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.75 167.79 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.9 t -114.74 135.36 54.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.64 -170.1 16.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.54 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.06 -72.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 0.0 111.103 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.42 ' O ' ' OG ' ' A' ' 9' ' ' SER . 2.8 t -111.15 16.34 21.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -140.95 109.92 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.441 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.36 25.1 10.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.896 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 9.2 m80 -121.6 50.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.984 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.1 mp -99.85 138.84 36.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -102.67 115.95 31.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.622 HG13 ' N ' ' A' ' 16' ' ' THR . 0.1 OUTLIER -101.57 157.58 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.02 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.667 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 62.1 m -112.44 107.55 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.646 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -108.75 119.76 40.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.021 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.614 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -165.0 118.69 1.26 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.795 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 18' ' ' SER . . . 94.93 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.526 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -100.94 -64.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.453 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.894 ' HB2' ' HB2' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -107.44 139.0 42.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 179.51 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.545 ' O ' ' HE2' ' A' ' 1' ' ' MET . 0.2 OUTLIER -135.77 -6.58 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.094 -179.69 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.874 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.0 m-30 -104.76 152.49 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.29 95.49 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.414 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.694 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -99.52 135.1 41.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 0.0 111.27 -179.457 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.833 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -131.24 98.69 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.575 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.904 ' HB3' ' HB2' ' A' ' 36' ' ' TRP . 41.9 t90 -99.78 145.23 27.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.125 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.738 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 17.3 tp -131.96 128.26 38.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.068 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.884 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -106.28 108.4 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.687 179.829 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 50' ' ' ASN . 7.2 mtpt -74.82 15.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.2 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.856 ' HB ' HD22 ' A' ' 29' ' ' ASN . 41.0 mm -119.51 -51.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.686 ' H ' ' ND2' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -108.46 8.44 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.733 179.775 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.586 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 2.1 t30 55.38 11.88 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.778 ' HB3' ' CZ3' ' A' ' 27' ' ' TRP . 2.3 tt0 -70.41 126.1 28.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.738 ' HG2' ' CD1' ' A' ' 28' ' ' LEU . 51.4 mtt180 -119.13 126.35 51.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.28 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.904 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 6.1 m0 -99.93 80.87 2.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.812 HD21 ' OD1' ' A' ' 62' ' ' ASN . 4.1 mp -103.53 125.01 49.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.005 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.694 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 166.97 -175.28 42.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.496 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.894 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.29 124.61 44.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.807 0.337 . . . . 0.0 110.988 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -119.36 172.75 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.526 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -68.77 -58.26 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.439 ' HB ' ' H ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -115.73 -157.23 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.766 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.439 ' H ' ' HB ' ' A' ' 42' ' ' THR . 8.5 t -108.07 148.29 30.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.979 HG23 ' ND2' ' A' ' 53' ' ' ASN . 1.3 t -139.04 39.84 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.812 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -46.65 136.27 7.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.879 HG22 HG11 ' A' ' 51' ' ' VAL . 20.6 mt -139.04 90.57 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.19 80.8 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.419 ' HG1' ' HB ' ' A' ' 51' ' ' VAL . 16.1 p -101.31 -136.17 0.32 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.479 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.6 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -97.6 -46.15 6.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.895 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.766 ' OD1' HG12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -113.42 -18.42 12.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.365 -179.555 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.879 HG11 HG22 ' A' ' 46' ' ' ILE . 4.4 t -100.21 127.66 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.763 0.316 . . . . 0.0 111.165 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 52' ' ' TYR . 4.5 t80 -132.44 103.81 6.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.979 ' ND2' HG23 ' A' ' 44' ' ' THR . 37.2 t30 -111.65 128.9 56.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HB3' ' HZ3' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -129.27 126.37 38.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.27 -179.682 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.66 150.57 22.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.25 172.74 12.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -140.0 24.23 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -126.59 158.1 37.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.593 ' O ' ' C ' ' A' ' 60' ' ' LEU . 47.9 t30 -41.93 142.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.593 ' C ' ' O ' ' A' ' 59' ' ' ASN . 38.3 mt 19.57 61.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.939 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 58' ' ' THR . 1.9 t -85.78 8.2 20.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.884 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.833 ' OD1' ' HB3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -133.31 106.37 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.966 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.754 ' SD ' ' O ' ' A' ' 58' ' ' THR . 33.2 ttp . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.678 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 2.2 tt0 -124.01 128.3 49.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 72.2 m -103.62 -177.88 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.861 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -123.84 105.9 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.141 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.852 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 2.7 ptt180 -98.19 163.25 12.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.679 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.575 ' SG ' ' NH1' ' A' ' 35' ' ' ARG . 5.4 t -107.4 115.48 30.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.904 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.708 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -68.21 -154.79 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.508 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.47 -29.21 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.332 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 t -128.36 7.78 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.42 165.12 27.56 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.579 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -134.75 25.53 3.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.743 0.306 . . . . 0.0 110.79 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.861 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 40.4 m80 -130.47 50.26 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.168 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.708 ' CD1' ' H ' ' A' ' 7' ' ' GLY . 1.8 mp -99.71 127.89 45.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.563 ' HG3' ' HG2' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -99.59 118.26 35.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.778 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.852 ' HB ' ' NE ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -120.81 148.42 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.249 -179.787 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.427 ' N ' HG12 ' A' ' 15' ' ' ILE . 17.7 m -95.76 132.14 41.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.6 m -82.11 156.15 24.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.3 m -86.62 169.74 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.52 -17.48 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -38.75 16.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -107.65 126.08 52.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.524 ' O ' ' HE3' ' A' ' 1' ' ' MET . 81.3 p -134.44 8.1 3.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.451 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.513 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 6.9 m-85 -106.6 154.23 21.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.026 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.683 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 48.5 m -117.31 101.32 8.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.304 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.609 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -103.45 133.38 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.426 . . . . 0.0 111.609 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 10.3 ptmt -127.12 100.73 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.144 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.875 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 60.1 t90 -99.79 142.76 30.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.266 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.863 HD11 ' N ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -135.53 129.98 33.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.773 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.875 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.5 OUTLIER -108.93 119.47 39.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.018 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -76.73 -10.36 59.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.849 HD12 ' HB2' ' A' ' 50' ' ' ASN . 1.1 mp -100.54 -50.02 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.981 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.733 ' O ' ' N ' ' A' ' 34' ' ' GLU . 40.5 t -98.08 11.85 36.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.694 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER 37.51 15.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.052 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.733 ' N ' ' O ' ' A' ' 32' ' ' SER . 1.5 tp10 -85.99 136.41 33.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.575 ' NH1' ' SG ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -122.25 126.18 47.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.191 -179.788 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.722 ' CE3' ' CD2' ' A' ' 27' ' ' TRP . 13.8 m0 -99.84 84.17 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.645 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 11.2 mp -101.46 125.63 48.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.609 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 172.66 -168.41 41.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.623 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 77.4 m -99.46 142.71 30.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.819 0.343 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.26 161.06 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.816 ' HE3' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -79.45 -27.07 41.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.588 HG22 ' HZ1' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -134.5 -176.3 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.57 179.811 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.482 ' N ' ' OG1' ' A' ' 42' ' ' THR . 26.7 t -102.49 149.69 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.973 0.416 . . . . 0.0 111.139 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.82 HG22 ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -134.75 37.2 3.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.617 179.78 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.07 130.68 4.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.071 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.939 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 14.2 mt -140.25 76.91 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.069 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 7.7 p-10 -93.83 90.02 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.1 p -108.51 -134.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.678 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -103.41 -31.27 10.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.849 ' HB2' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -120.57 -26.88 5.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.248 -179.647 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.778 HG13 ' HE1' ' A' ' 27' ' ' TRP . 3.4 t -99.63 143.93 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.362 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.525 ' N ' HG11 ' A' ' 51' ' ' VAL . 2.2 t80 -140.3 106.39 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.264 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.939 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 6.3 t30 -113.02 122.41 47.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.243 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.635 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -130.21 124.26 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.995 0.426 . . . . 0.0 111.824 -179.301 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.635 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -105.61 151.34 24.48 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.624 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.94 146.18 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 111.142 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -101.09 9.25 42.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.754 ' O ' ' SD ' ' A' ' 1' ' ' MET . 1.5 p -107.68 -179.26 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.84 ' OD1' HD11 ' A' ' 60' ' ' LEU . 20.7 t-20 -70.87 151.22 44.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.84 HD11 ' OD1' ' A' ' 59' ' ' ASN . 0.7 OUTLIER 12.51 50.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.314 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.734 ' N ' ' O ' ' A' ' 59' ' ' ASN . 39.0 t -73.1 7.78 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 0.0 110.646 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.487 ' C ' ' OD1' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -125.13 119.61 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.81 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.882 ' HE2' ' C ' ' A' ' 22' ' ' THR . 1.3 ttp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -122.81 144.39 49.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.552 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 1.8 m -113.89 -175.57 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.723 ' OH ' ' ND1' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -126.63 106.9 9.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.811 ' O ' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.94 154.68 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.52 114.59 28.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.667 ' H ' HD13 ' A' ' 13' ' ' LEU . . . -68.91 -133.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.583 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.541 HG11 ' N ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -103.85 -36.11 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.845 0.355 . . . . 0.0 111.117 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.541 ' N ' HG11 ' A' ' 8' ' ' VAL . 32.9 t -126.54 2.87 6.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.79 144.59 16.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.602 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.2 38.32 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.776 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.723 ' ND1' ' OH ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -139.54 49.3 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.765 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.811 HD11 ' O ' ' A' ' 5' ' ' ARG . 4.6 mp -99.56 131.88 45.27 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.79 117.1 33.39 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.729 ' CG2' ' HD3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -114.3 154.58 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.617 ' N ' HG12 ' A' ' 15' ' ' ILE . 30.0 m -102.06 114.77 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.549 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 1.9 m -89.39 120.79 31.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -175.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.38 -10.33 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.088 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -49.35 15.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -105.09 128.28 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.882 ' C ' ' HE2' ' A' ' 1' ' ' MET . 0.1 OUTLIER -131.9 -7.91 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.153 -179.711 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.895 ' CE1' HG21 ' A' ' 57' ' ' THR . 3.6 m-30 -100.39 147.04 26.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.962 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.772 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 6.3 m -113.21 103.98 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.758 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.7 OUTLIER -100.42 125.26 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.997 ' HB2' ' HB2' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -123.55 101.65 7.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.965 ' HE1' HG13 ' A' ' 51' ' ' VAL . 63.2 t90 -100.0 139.4 35.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 1.051 HD12 ' HD2' ' A' ' 35' ' ' ARG . 2.0 tp -130.36 127.62 39.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.883 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.908 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 8.4 t-20 -105.22 115.66 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.3 mtpt -87.77 19.91 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.501 ' HB ' HD22 ' A' ' 29' ' ' ASN . 17.4 mm -113.1 -44.32 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.223 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.611 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 11.0 t -117.52 -21.44 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.611 ' CB ' ' O ' ' A' ' 32' ' ' SER . 0.4 OUTLIER 93.07 18.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.674 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -88.14 131.3 34.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.827 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 1.051 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -122.66 134.53 54.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.99 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.758 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 10.6 m0 -108.14 84.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.681 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.872 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 11.0 mp -103.81 130.99 51.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.003 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.48 -173.81 46.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 1.7 m -99.35 135.14 41.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 111.055 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.658 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -136.37 171.25 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.022 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HE3' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -86.95 -41.48 13.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -113.64 -158.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.5 ' N ' ' OG1' ' A' ' 42' ' ' THR . 31.8 t -118.84 151.04 38.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.785 ' O ' HG13 ' A' ' 46' ' ' ILE . 2.8 t -135.37 24.86 3.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.686 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.773 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.83 132.42 0.33 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.785 HG13 ' O ' ' A' ' 44' ' ' THR . 5.8 mt -138.9 74.63 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.428 ' OD2' ' OE2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -92.92 104.68 16.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.328 -179.697 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.474 ' HG1' ' H ' ' A' ' 49' ' ' TRP . 30.2 p -126.23 -127.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.318 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.791 ' CE3' ' ND2' ' A' ' 50' ' ' ASN . 0.4 OUTLIER -111.52 -26.41 9.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.705 179.78 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.842 ' N ' HD21 ' A' ' 50' ' ' ASN . 0.0 OUTLIER -124.25 -30.64 3.41 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.965 HG13 ' HE1' ' A' ' 27' ' ' TRP . 34.1 t -102.79 123.33 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.156 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.571 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -127.27 104.25 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.225 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.773 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 19.2 t30 -112.44 132.92 54.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.241 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.757 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.5 OUTLIER -134.13 125.08 27.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.39 . . . . 0.0 111.783 -179.349 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.757 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -100.48 149.95 23.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.44 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.49 ' C ' HG23 ' A' ' 57' ' ' THR . 0.1 OUTLIER -141.02 170.48 15.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.882 0.372 . . . . 0.0 111.097 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.895 HG21 ' CE1' ' A' ' 23' ' ' PHE . 1.5 p -138.16 21.98 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.69 ' CG2' ' H ' ' A' ' 59' ' ' ASN . 13.5 t -110.18 -127.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.737 ' O ' ' N ' ' A' ' 61' ' ' CYS . 6.5 t-20 -118.96 136.32 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.591 ' O ' HG21 ' A' ' 63' ' ' THR . 57.9 mt 20.24 41.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.034 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.737 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.4 OUTLIER -64.84 -30.81 71.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.73 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.997 ' HB2' ' HB2' ' A' ' 26' ' ' LYS . 21.7 p-10 -97.32 76.99 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.591 HG21 ' O ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.765 ' HE1' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.741 0.305 . . . . 0.0 111.187 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.95 ' HG3' HD22 ' A' ' 59' ' ' ASN . 0.0 OUTLIER -100.1 141.18 33.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.0 m -114.27 -179.01 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.767 ' HB2' ' O ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -114.56 101.97 9.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.619 179.825 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.915 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -101.49 -169.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 -179.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.657 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 2.4 t -123.28 119.64 30.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.07 -145.35 1.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.582 ' CG1' ' N ' ' A' ' 9' ' ' SER . 9.1 p -73.73 -57.37 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.582 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -118.38 5.59 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -120.15 169.14 13.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.409 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.657 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -139.54 4.71 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 111.223 -179.824 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.687 ' C ' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -111.81 48.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.998 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.915 ' HB2' ' HD3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -99.49 129.73 45.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.831 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.831 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -99.57 106.81 18.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.014 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.545 HG12 ' N ' ' A' ' 16' ' ' THR . 2.6 tt -101.87 161.34 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.545 ' N ' HG12 ' A' ' 15' ' ' ILE . 1.8 m -111.96 117.79 33.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.524 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -118.58 137.76 53.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.611 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -166.98 137.9 3.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.126 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.611 ' CB ' ' O ' ' A' ' 18' ' ' SER . . . 95.26 -41.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.043 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.734 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -110.39 -59.7 1.91 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.823 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.36 141.42 35.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.798 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.679 ' O ' ' HE3' ' A' ' 1' ' ' MET . 0.6 OUTLIER -139.07 -12.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.54 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 7.8 m-85 -105.18 143.79 32.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.765 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 52.0 m -106.76 97.42 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.698 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -99.66 133.93 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.317 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.895 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 1.2 ptmt -132.15 104.6 6.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.726 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.924 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 16.6 t90 -99.68 140.96 33.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.757 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' HA ' HD11 ' A' ' 28' ' ' LEU . 19.9 tp -128.54 134.72 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.366 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.924 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 2.1 t-20 -112.84 116.8 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.831 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 30' ' ' LYS . 14.6 mtpt -86.43 13.79 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.062 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 31' ' ' ILE . 4.0 mm -117.61 -34.88 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.473 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.591 ' HB2' ' OD1' ' A' ' 29' ' ' ASN . 0.6 OUTLIER -122.54 -3.67 8.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.8 t30 67.22 16.68 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.758 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.714 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 0.1 OUTLIER -81.69 129.8 34.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.507 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 13.9 mtm180 -122.84 120.37 33.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.774 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 11.6 m0 -99.82 83.79 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.823 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 10.9 mp -104.83 135.66 45.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.29 -175.13 44.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.429 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.823 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.38 124.53 44.58 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.977 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.86 170.75 9.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.734 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -85.44 -31.67 22.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.736 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.13 -163.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.694 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.1 t -122.37 136.76 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.928 HG22 ' ND2' ' A' ' 53' ' ' ASN . 0.9 OUTLIER -126.98 37.77 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.888 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -37.03 136.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.898 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 4.8 mt -136.11 78.33 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.058 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.55 79.89 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.024 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.492 ' OG1' ' HB ' ' A' ' 51' ' ' VAL . 9.0 p -105.85 -134.69 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.697 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.785 ' CH2' ' ND2' ' A' ' 50' ' ' ASN . 1.0 OUTLIER -101.96 -42.29 6.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.711 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.785 ' ND2' ' CH2' ' A' ' 49' ' ' TRP . 2.6 p30 -109.62 -24.22 11.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.831 HG11 ' CD1' ' A' ' 27' ' ' TRP . 99.0 t -99.66 138.35 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.051 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' O ' ' CG ' ' A' ' 52' ' ' TYR . 4.5 t80 -139.47 94.17 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.928 ' ND2' HG22 ' A' ' 44' ' ' THR . 34.9 t30 -103.95 125.96 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.596 ' HD3' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -131.92 122.35 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.281 -179.615 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.596 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 1.8 m -99.86 147.2 25.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.807 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -133.95 156.01 48.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.0 p -121.48 12.78 10.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.78 ' HG1' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -120.99 145.22 47.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.95 HD22 ' HG3' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -37.7 149.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.696 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.757 HD11 ' HE2' ' A' ' 14' ' ' LYS . 61.0 mt 18.19 56.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.763 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.78 ' HB2' ' HG1' ' A' ' 58' ' ' THR . 43.6 t -92.3 -22.4 19.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.903 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.895 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 1.8 p-10 -102.92 117.25 34.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.667 HG21 ' OXT' ' A' ' 63' ' ' THR . 13.9 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.917 ' HE1' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.862 0.363 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.644 ' CD ' ' HB2' ' A' ' 14' ' ' LYS . 32.9 tt0 -107.68 140.45 40.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.771 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 m -116.59 170.09 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.66 ' O ' HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -110.17 99.02 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.907 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -101.43 -161.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.454 ' H ' ' HB2' ' A' ' 5' ' ' ARG . 1.8 t -126.67 159.4 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.716 ' N ' HD12 ' A' ' 13' ' ' LEU . . . -113.77 -106.56 2.73 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.441 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.764 HG13 ' N ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -130.06 -35.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 111.05 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.764 ' N ' HG13 ' A' ' 8' ' ' VAL . 38.5 t -122.6 -13.63 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.729 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.77 148.8 18.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.332 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.558 ' O ' ' HD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -117.45 41.29 2.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.372 . . . . 0.0 110.94 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.558 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 20.3 m170 -139.23 52.17 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 7' ' ' GLY . 4.6 mp -99.41 127.24 45.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.644 ' HB2' ' CD ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -98.91 102.21 13.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.058 -179.5 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.808 HG21 ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -110.89 121.08 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.627 ' HA ' ' HA ' ' A' ' 2' ' ' GLU . 3.4 m -89.82 125.58 35.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.758 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -47.65 169.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.549 ' C ' ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -92.83 39.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 72.34 -25.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.202 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.549 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -66.79 -48.43 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.598 ' HB3' ' C ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -102.01 155.01 18.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.823 ' C ' ' HE3' ' A' ' 1' ' ' MET . 65.8 p -138.63 3.56 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.563 ' CD2' ' O ' ' A' ' 56' ' ' CYS . 9.0 m-85 -99.81 150.38 22.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.917 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 17.2 m -113.49 102.78 10.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.454 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.644 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 5.8 p90 -99.87 128.54 45.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.213 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 1.017 ' HD2' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -126.18 99.16 5.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.418 179.698 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.936 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 45.8 t90 -103.56 147.43 27.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.034 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.715 HD12 ' HB3' ' A' ' 35' ' ' ARG . 19.8 tp -139.82 133.5 30.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.936 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 6.5 t-20 -112.23 105.4 13.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 2.67 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.521 HG22 HD12 ' A' ' 31' ' ' ILE . 1.8 mm -100.03 -55.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.569 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 8.5 t -91.2 -26.46 19.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.722 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 32' ' ' SER . 7.9 t30 88.82 10.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.699 ' OE1' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -96.17 143.93 26.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.795 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.715 ' HB3' HD12 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -127.74 142.86 51.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.987 0.422 . . . . 0.0 111.106 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.681 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 9.4 m0 -106.3 84.82 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.62 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.907 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 11.1 mp -104.66 127.54 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.056 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' C ' ' CE1' ' A' ' 25' ' ' TYR . . . 169.98 -161.68 34.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.57 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 19.9 m -99.68 147.31 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.598 ' C ' ' HB3' ' A' ' 21' ' ' GLU . . . -140.98 160.56 39.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.22 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.893 ' HD3' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -89.17 -25.22 21.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.453 ' HB ' ' H ' ' A' ' 43' ' ' CYS . 0.6 OUTLIER -128.77 -154.28 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.559 179.749 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.453 ' H ' ' HB ' ' A' ' 42' ' ' THR . 28.0 t -122.04 138.09 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.059 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.972 HG23 ' ND2' ' A' ' 53' ' ' ASN . 6.5 t -124.91 30.61 5.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.637 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.837 ' HA ' HD21 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -45.63 128.89 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.896 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 44' ' ' THR . 4.7 mt -138.62 82.75 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.992 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -95.32 92.99 7.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.4 p -118.18 -131.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.476 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.679 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -107.76 -36.18 6.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.941 179.85 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.742 ' ND2' ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -115.56 -23.44 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.184 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.814 HG13 ' NE1' ' A' ' 27' ' ' TRP . 51.4 t -104.33 126.56 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.364 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -130.95 101.71 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.002 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.972 ' ND2' HG23 ' A' ' 44' ' ' THR . 5.5 t30 -117.08 127.66 54.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.508 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 1.017 ' HD3' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -125.85 128.3 47.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 111.365 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -99.84 141.81 32.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.666 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.893 ' HB2' ' HZ1' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -131.88 175.23 9.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.958 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.486 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.5 OUTLIER -139.99 16.2 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.299 -179.624 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.596 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 81.4 p -126.27 151.92 46.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.922 0.391 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.719 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 0.1 OUTLIER -40.83 149.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.608 ' C ' ' O ' ' A' ' 59' ' ' ASN . 60.7 mt 17.52 59.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 58' ' ' THR . 9.1 t -81.99 -1.42 48.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.792 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -129.51 128.3 42.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.774 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.941 ' HE1' ' SG ' ' A' ' 24' ' ' CYS . 2.2 ttt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.886 0.374 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.844 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -103.92 154.9 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 1.8 m -112.86 -172.61 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.594 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.653 ' HD2' ' HA ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -138.12 115.56 11.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.47 179.748 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.987 ' HD2' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -111.09 171.66 7.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 -179.664 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 10' ' ' GLY . 1.8 t -112.37 130.8 55.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -89.47 -172.07 45.45 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.403 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.659 HG11 ' H ' ' A' ' 9' ' ' SER . 13.1 p -45.78 -60.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.659 ' H ' HG11 ' A' ' 8' ' ' VAL . 2.1 t -125.32 26.35 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.795 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -138.73 157.99 24.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -137.5 24.97 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.874 -179.856 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -120.79 46.26 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.602 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 1.8 mp -99.67 119.64 38.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.692 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HA ' ' HD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -98.64 111.33 23.73 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 -179.39 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.987 HG22 ' HD2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -104.43 169.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.601 ' N ' ' CG1' ' A' ' 15' ' ' ILE . 3.2 m -125.46 116.33 21.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -79.28 175.31 10.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.628 ' O ' ' N ' ' A' ' 20' ' ' GLU . 56.0 m -126.71 161.51 27.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -31.27 -30.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.628 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -65.52 -50.9 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.702 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -109.65 133.93 52.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.666 ' O ' ' HE3' ' A' ' 1' ' ' MET . 17.1 p -135.95 -2.99 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.73 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.939 ' HE1' HG21 ' A' ' 57' ' ' THR . 1.2 m-85 -100.48 148.05 25.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.982 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.941 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 5.7 m -118.0 97.07 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.366 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.527 ' H ' ' HD1' ' A' ' 25' ' ' TYR . 0.7 OUTLIER -99.76 133.39 44.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.065 0.459 . . . . 0.0 111.382 -179.51 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.861 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -125.83 103.7 7.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.47 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.948 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 12.2 t90 -106.49 146.93 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.578 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 18.6 tp -138.07 135.59 35.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.948 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 48.2 t-20 -114.5 97.37 6.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.035 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.559 ' CB ' ' NZ ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -61.61 11.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.845 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.656 ' H ' ' C ' ' A' ' 29' ' ' ASN . 13.8 mm -116.02 -53.83 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.478 ' H ' ' CG ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -95.65 5.61 51.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t30 52.88 9.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.477 ' H ' ' C ' ' A' ' 32' ' ' SER . 28.9 tt0 -86.1 138.23 32.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.578 ' HG2' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.08 129.01 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.816 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 13.2 m0 -99.99 83.42 2.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.962 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 5.7 mp -105.62 117.28 33.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.487 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . -179.37 -171.86 42.91 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.596 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.9 m -99.5 140.66 33.36 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.0 111.017 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -138.34 165.03 27.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.616 ' HD2' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -75.14 -24.55 57.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.509 ' CA ' ' HD2' ' A' ' 23' ' ' PHE . 10.7 p -136.9 -155.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 7.6 t -111.74 149.85 31.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.871 ' O ' HG21 ' A' ' 44' ' ' THR . 0.5 OUTLIER -130.42 26.25 5.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.711 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -41.4 132.35 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.843 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.82 HG13 ' O ' ' A' ' 44' ' ' THR . 15.9 mt -140.16 98.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.251 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.01 103.65 15.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.96 HG22 ' HB ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -129.51 -149.6 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.397 179.758 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.678 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 1.5 p-90 -96.73 -26.4 15.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 0.0 110.793 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.757 ' H ' HD21 ' A' ' 50' ' ' ASN . 0.0 OUTLIER -128.48 -18.88 3.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.809 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.96 ' HB ' HG22 ' A' ' 48' ' ' THR . 52.7 t -107.0 117.48 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.504 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 46' ' ' ILE . 2.0 t80 -127.37 108.74 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.79 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.741 ' ND2' ' C ' ' A' ' 44' ' ' THR . 26.4 t30 -117.67 131.48 56.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.476 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.54 ' HD2' ' HD2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -129.27 124.87 35.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 111.247 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.513 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.6 m -99.32 148.08 24.53 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.773 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -137.04 159.91 40.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.094 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.939 HG21 ' HE1' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -121.01 30.37 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.924 ' HG1' ' HB2' ' A' ' 61' ' ' CYS . 4.2 p -132.85 167.81 19.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.846 ' ND2' HD11 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -51.33 140.65 16.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.846 HD11 ' ND2' ' A' ' 59' ' ' ASN . 1.2 mp 18.83 42.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.924 ' HB2' ' HG1' ' A' ' 58' ' ' THR . 8.6 t -64.86 -13.36 56.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.717 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.861 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 17.1 p-10 -111.86 76.46 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.653 ' HA ' ' HD2' ' A' ' 4' ' ' TYR . 62.7 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.625 ' SD ' ' O ' ' A' ' 22' ' ' THR . 15.5 ttp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.82 0.343 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.87 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -136.85 153.35 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 10.8 m -131.51 178.19 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.717 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -128.79 106.91 9.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.793 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.786 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -95.53 174.56 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.997 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -114.36 154.59 27.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.04 -170.99 12.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.449 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.31 3.39 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 111.194 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 t -147.47 -20.89 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.802 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.562 ' O ' HD13 ' A' ' 13' ' ' LEU . . . -145.84 125.19 2.23 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.551 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t -100.04 36.4 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 110.783 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.717 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -137.01 52.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.875 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 10' ' ' GLY . 3.4 mp -99.2 125.39 44.77 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.647 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.642 ' HB2' ' OE1' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -98.91 115.92 29.96 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.248 -179.317 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.87 ' O ' ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -109.73 148.51 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.728 179.643 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.649 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -105.41 118.43 36.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.154 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 21.5 p -112.7 116.86 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.706 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.623 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -152.7 134.19 14.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.623 ' CB ' ' O ' ' A' ' 18' ' ' SER . . . 94.25 -40.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -59.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.776 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.816 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -111.27 132.08 54.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.625 ' O ' ' SD ' ' A' ' 1' ' ' MET . 1.3 p -128.09 -5.29 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.017 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.548 ' CE2' HG22 ' A' ' 57' ' ' THR . 9.3 m-85 -101.48 162.54 12.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.582 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -122.24 99.38 6.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.481 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.93 ' HD2' ' HB2' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -102.45 135.85 43.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.269 -179.537 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.39 105.63 8.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.964 ' HE1' HG12 ' A' ' 51' ' ' VAL . 31.9 t90 -103.81 147.03 27.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.633 HD11 ' N ' ' A' ' 29' ' ' ASN . 3.3 tp -138.35 130.28 28.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 111.097 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.939 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 62.0 t-20 -108.83 109.57 20.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 1.6 mtmt -76.85 12.99 1.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.012 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.515 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 13.2 mm -114.36 -47.09 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.0 15.62 22.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.099 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 45.47 23.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.584 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 1.3 mt-10 -104.78 130.06 52.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.717 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.63 ' HA ' ' CE3' ' A' ' 27' ' ' TRP . 1.2 ptt180 -128.97 148.65 50.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.293 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.741 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 7.4 m0 -107.13 94.0 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.696 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.712 ' CB ' HD22 ' A' ' 62' ' ' ASN . 4.3 mp -104.47 118.75 37.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.83 -164.44 37.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.542 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 12.5 m -99.8 151.61 21.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.93 ' HB2' ' HD2' ' A' ' 25' ' ' TYR . . . -140.83 160.65 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.224 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.9 ' HD2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.29 -25.19 46.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.062 0.458 . . . . 0.0 110.286 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.456 HG21 ' C ' ' A' ' 41' ' ' LYS . 17.7 p -140.01 -168.5 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.397 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.81 137.69 38.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.935 0.397 . . . . 0.0 110.997 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.858 HG22 ' O ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -123.88 29.66 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.815 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.75 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -40.95 132.99 2.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 1.009 HG21 HG11 ' A' ' 51' ' ' VAL . 40.5 mt -140.28 86.67 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.15 84.85 3.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.612 HG22 HG23 ' A' ' 46' ' ' ILE . 30.4 p -100.92 -143.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.663 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -106.34 -18.77 13.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.704 179.753 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.717 ' ND2' ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -125.17 -29.92 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 1.009 HG11 HG21 ' A' ' 46' ' ' ILE . 2.5 t -106.83 146.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.98 0.419 . . . . 0.0 111.391 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -140.33 113.23 8.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.807 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -117.25 130.39 56.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.417 179.798 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HZ3' ' HG3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -131.87 126.9 35.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.961 0.41 . . . . 0.0 111.582 -179.519 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.44 150.48 22.59 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.55 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.568 ' SG ' HG21 ' A' ' 58' ' ' THR . 0.1 OUTLIER -145.32 177.47 8.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.988 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.548 HG22 ' CE2' ' A' ' 23' ' ' PHE . 10.5 p -135.84 37.14 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.626 ' OG1' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -124.14 172.8 8.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.707 HD22 ' HB2' ' A' ' 2' ' ' GLU . 6.9 t-20 -76.96 150.07 35.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.668 HD21 ' HB3' ' A' ' 2' ' ' GLU . 64.0 mt 21.07 47.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.626 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 1.9 p -81.99 -13.27 57.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.712 HD22 ' CB ' ' A' ' 37' ' ' LEU . 12.5 t30 -97.1 97.77 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.017 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.82 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tmm? . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.796 0.331 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.49 144.16 43.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -118.97 -175.57 2.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.995 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.793 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -124.4 102.67 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 1.107 ' HG2' HG21 ' A' ' 15' ' ' ILE . 5.8 ptt180 -95.48 171.93 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 t -119.53 115.7 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.463 ' H ' HD11 ' A' ' 13' ' ' LEU . . . -68.13 -135.32 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.497 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.75 -13.75 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.358 . . . . 0.0 111.038 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.9 t -142.9 -16.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.41 153.8 17.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.382 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.68 28.09 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.793 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -131.99 47.93 2.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.514 ' O ' ' HA ' ' A' ' 4' ' ' TYR . 4.9 mp -99.54 131.36 45.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.012 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.838 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.57 105.75 17.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 1.107 HG21 ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -101.69 169.62 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.859 ' H ' HG12 ' A' ' 15' ' ' ILE . 3.9 m -115.82 116.38 27.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.15 112.08 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.452 ' C ' ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -48.2 165.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.736 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.83 -8.88 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.865 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.76 -45.53 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.8 127.53 51.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.43 1.4 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.715 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-85 -102.86 147.16 27.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -116.43 100.91 8.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.424 179.649 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.838 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -99.55 132.46 44.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.461 -179.498 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.89 ' HD3' ' HD2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -129.47 98.93 5.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.351 179.53 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.939 ' HE1' HG13 ' A' ' 51' ' ' VAL . 40.8 t90 -99.46 137.89 37.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.5 OUTLIER -123.82 130.13 52.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.054 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.915 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -109.53 92.49 4.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 25.1 mtpt -64.89 19.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.032 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.653 ' H ' ' C ' ' A' ' 29' ' ' ASN . 11.2 mm -118.7 -53.78 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -106.49 25.75 10.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' SER . 8.1 t-20 37.38 30.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.748 ' HG2' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -113.32 135.24 54.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.645 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.804 ' HG3' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -129.51 144.18 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.918 0.39 . . . . 0.0 111.225 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.838 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 7.4 m0 -101.99 88.3 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.635 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.804 HD13 ' HG3' ' A' ' 35' ' ' ARG . 7.2 mp -101.17 129.33 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.671 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 167.79 -176.54 42.42 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.428 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 1.7 m -99.51 140.83 33.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.868 0.365 . . . . 0.0 111.105 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.98 176.27 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.065 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.865 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -82.58 -58.11 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.9 p -104.51 -172.0 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.7 t -109.75 149.16 30.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.033 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.886 HG22 ' ND2' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -138.57 33.23 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.87 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -35.8 132.8 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.836 ' CG2' HG12 ' A' ' 51' ' ' VAL . 18.5 mt -135.01 78.28 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.72 80.5 3.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.3 p -99.8 -132.81 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.764 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.673 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 1.1 p-90 -102.04 -36.24 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.164 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.792 ' H ' HD21 ' A' ' 50' ' ' ASN . 0.0 OUTLIER -114.57 -29.29 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.418 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.939 HG13 ' HE1' ' A' ' 27' ' ' TRP . 4.2 t -99.5 140.37 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.931 0.396 . . . . 0.0 111.355 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.939 ' HH ' ' HE2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -140.17 97.48 3.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.995 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.886 ' ND2' HG22 ' A' ' 44' ' ' THR . 60.2 t30 -107.87 131.93 53.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.476 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.939 ' HE2' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -134.86 128.54 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 111.378 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.22 149.71 23.72 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.49 160.64 38.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.965 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.3 p -119.46 10.46 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.5 p -107.18 -161.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.719 ' O ' ' N ' ' A' ' 61' ' ' CYS . 18.8 t-20 -87.42 159.22 18.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.632 ' C ' ' O ' ' A' ' 59' ' ' ASN . 6.3 mt 13.27 51.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.719 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.9 OUTLIER -80.88 -3.87 52.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.762 ' OD1' ' HB3' ' A' ' 26' ' ' LYS . 1.4 t30 -117.19 70.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.687 ' OXT' HG23 ' A' ' 63' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.545 ' HE3' ' C ' ' A' ' 22' ' ' THR . 3.1 ttt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.756 0.313 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 1.4 mt-10 -108.49 138.2 45.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -117.53 -171.99 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.625 ' HE1' ' C ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -122.96 105.04 9.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.824 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.995 ' HD2' HG23 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -101.25 164.68 11.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.861 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.8 t -111.93 114.22 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.861 ' H ' HD13 ' A' ' 13' ' ' LEU . . . -68.65 -115.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.438 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 p -124.08 -31.21 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -127.82 1.63 6.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.402 ' O ' HD12 ' A' ' 13' ' ' LEU . . . -141.1 137.03 7.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.84 ' SG ' ' NH2' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -113.5 36.98 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.637 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 5.4 m170 -138.7 50.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.774 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.861 HD13 ' H ' ' A' ' 7' ' ' GLY . 3.8 mp -99.64 133.09 44.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.704 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -102.27 112.35 25.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.995 HG23 ' HD2' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -110.71 166.19 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.174 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.849 ' N ' HG12 ' A' ' 15' ' ' ILE . 94.3 m -120.59 111.45 17.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.695 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -72.8 -152.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.036 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -163.44 171.11 16.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -35.66 -46.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.266 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.07 -54.64 44.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.831 ' HB2' ' HB2' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -103.21 102.79 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.97 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.545 ' C ' ' HE3' ' A' ' 1' ' ' MET . 1.2 p -112.06 -4.05 14.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.821 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.5 m-85 -101.54 158.32 16.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.03 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 t -124.99 98.5 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.685 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 8.6 p90 -99.77 137.48 38.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.216 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.872 ' HG3' ' OD1' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -129.11 98.87 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.324 179.457 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.934 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 34.6 t90 -99.51 142.24 31.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.017 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.677 HD13 ' HG2' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -131.34 128.92 40.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.934 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 21.9 t-20 -109.33 105.34 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HZ1' ' HG2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -75.5 36.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.74 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.844 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 3.4 mm -129.11 -46.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.345 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.21 19.05 7.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.128 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.5 t30 54.46 24.45 5.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.497 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -93.78 122.98 36.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.84 ' NH2' ' SG ' ' A' ' 11' ' ' CYS . 23.7 mtm180 -126.45 142.26 51.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.717 ' CD2' ' CE3' ' A' ' 27' ' ' TRP . 10.2 m0 -104.76 87.08 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.808 HD22 ' OD1' ' A' ' 62' ' ' ASN . 5.5 mp -102.24 113.8 27.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . -178.93 -176.91 47.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.282 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.831 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.7 m -99.45 125.35 45.16 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.881 0.372 . . . . 0.0 110.984 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.813 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -118.08 164.87 14.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.196 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.934 ' HD2' ' H ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -73.97 -42.62 60.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.934 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 36.7 p -132.79 138.75 47.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.9 t -44.42 153.25 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.306 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.964 HG22 ' ND2' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -140.14 23.62 2.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.543 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.667 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.65 132.31 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.13 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.755 HG23 HG11 ' A' ' 51' ' ' VAL . 11.0 mt -136.09 90.84 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.12 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -99.46 102.11 13.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.0 p -126.64 -138.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.762 ' CH2' ' ND2' ' A' ' 50' ' ' ASN . 5.1 p-90 -97.01 -37.83 10.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.118 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.762 ' ND2' ' CH2' ' A' ' 49' ' ' TRP . 1.2 p-10 -121.35 -18.9 7.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.295 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.864 HG13 ' NE1' ' A' ' 27' ' ' TRP . 46.0 t -99.81 125.88 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.295 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.842 ' HE1' ' HD3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -133.72 100.52 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.964 ' ND2' HG22 ' A' ' 44' ' ' THR . 31.7 t30 -114.53 130.56 56.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.581 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.842 ' HD3' ' HE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -128.31 127.94 43.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.149 -179.687 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -99.64 149.14 23.6 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -144.04 160.92 40.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.661 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.3 OUTLIER -124.37 42.72 3.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.092 0.472 . . . . 0.0 110.854 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.726 ' HG1' ' HB3' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -130.79 176.18 8.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.587 ' O ' ' C ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -80.03 150.17 30.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.018 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.587 ' C ' ' O ' ' A' ' 59' ' ' ASN . 6.8 mt 20.07 60.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.726 ' HB3' ' HG1' ' A' ' 58' ' ' THR . 30.5 p -99.64 -22.75 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.872 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 5.3 t30 -90.65 73.17 6.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.001 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.787 ' CG ' ' HA ' ' A' ' 59' ' ' ASN . 2.6 ttp . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.82 0.343 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 43.6 mt-10 -105.61 161.38 14.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.62 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 19.9 m -138.96 -178.46 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.75 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -118.41 102.3 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.978 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -103.26 166.52 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 1.9 t -103.51 123.94 47.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.729 ' N ' HD11 ' A' ' 13' ' ' LEU . . . -71.05 -156.36 2.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.352 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.773 ' O ' HG22 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -83.1 -13.81 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.07 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -150.08 -4.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.443 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -125.36 163.56 19.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.622 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -132.61 34.4 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.952 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.58 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 46.3 m170 -135.57 45.17 2.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.729 HD11 ' N ' ' A' ' 7' ' ' GLY . 2.9 mp -99.67 131.77 45.44 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -99.13 106.77 19.0 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.797 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.978 ' HB ' ' NE ' ' A' ' 5' ' ' ARG . 1.3 tt -99.83 171.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.908 ' N ' HG12 ' A' ' 15' ' ' ILE . 22.3 m -134.11 107.19 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.054 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.87 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -58.58 170.96 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.763 179.795 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 20' ' ' GLU . 16.7 m -117.46 163.82 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -35.29 -26.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.977 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -74.83 -48.53 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.75 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.87 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -107.29 122.1 45.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.492 ' O ' ' HE2' ' A' ' 1' ' ' MET . 6.5 p -126.15 -4.6 6.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.984 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.75 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 5.1 m-85 -99.93 161.12 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.39 99.18 7.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.771 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.664 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 1.2 p90 -100.61 140.22 35.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.419 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.721 ' HG3' ' OD1' ' A' ' 62' ' ' ASN . 3.5 ttpt -135.48 97.26 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.131 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.936 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 18.5 t90 -100.92 143.5 30.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.657 HD12 ' H ' ' A' ' 29' ' ' ASN . 1.8 tp -133.22 134.61 44.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.067 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.936 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 60.9 t-20 -113.88 112.26 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.752 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.71 ' NZ ' ' HB3' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -76.35 10.42 2.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.515 HD11 HG22 ' A' ' 31' ' ' ILE . 25.6 mm -109.4 -55.37 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -104.56 24.07 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.527 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 28.5 t-20 36.25 27.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.985 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.876 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 17.7 tt0 -99.2 136.47 39.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 138.04 50.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.999 0.428 . . . . 0.0 111.542 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.73 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 10.1 m0 -99.93 86.53 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.285 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.751 ' HG ' HD22 ' A' ' 62' ' ' ASN . 5.5 mp -100.05 117.46 34.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.664 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 171.56 -166.3 39.3 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.064 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.641 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 17.9 m -103.01 150.51 23.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.008 0.433 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.75 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.53 151.67 44.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.088 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.505 ' HE2' ' H ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -66.38 -23.81 66.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.505 ' H ' ' HE2' ' A' ' 41' ' ' LYS . 10.2 p -138.89 -164.61 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.4 t -101.86 146.43 27.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.66 HG21 ' ND2' ' A' ' 53' ' ' ASN . 0.7 OUTLIER -134.14 29.78 3.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.859 ' HA ' HD21 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.6 133.53 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.94 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 7.5 mt -140.15 83.42 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.235 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.79 81.05 3.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.797 ' HG1' ' H ' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -100.2 -139.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.765 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.797 ' H ' ' HG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -93.59 -45.76 7.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.736 ' H ' HD21 ' A' ' 50' ' ' ASN . 0.0 OUTLIER -114.59 -11.72 12.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.979 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.805 HG13 HG23 ' A' ' 46' ' ' ILE . 12.4 t -102.78 139.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.526 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.573 ' HE2' ' NZ ' ' A' ' 26' ' ' LYS . 1.8 t80 -140.13 105.39 5.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.94 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -115.77 130.7 56.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -131.98 125.46 31.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.352 -179.669 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.563 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -100.06 151.11 21.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.851 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.38 172.72 12.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.46 7.62 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.822 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -113.68 148.54 36.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.787 ' HA ' ' CG ' ' A' ' 1' ' ' MET . 1.2 t-20 -39.17 159.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.627 ' C ' ' O ' ' A' ' 59' ' ' ASN . 39.1 mt 13.1 55.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.822 ' HB2' ' O ' ' A' ' 58' ' ' THR . 0.9 OUTLIER -81.45 -1.98 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.768 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.751 HD22 ' HG ' ' A' ' 37' ' ' LEU . 37.9 t30 -111.68 75.85 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.532 ' CG2' ' CD1' ' A' ' 4' ' ' TYR . 4.6 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.77 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.754 0.312 . . . . 0.0 111.255 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.607 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 43.4 mt-10 -99.78 132.56 45.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 28.0 m -108.82 -168.57 1.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.698 ' HD1' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -125.68 105.02 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.843 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.664 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.23 161.81 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.547 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.61 115.42 23.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.932 0.396 . . . . 0.0 111.101 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.8 34.84 2.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.385 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.611 ' CG1' ' N ' ' A' ' 9' ' ' SER . 0.6 OUTLIER 74.17 -58.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 111.119 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.611 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -97.28 -9.6 27.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.99 125.29 3.35 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.394 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.8 38.61 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.952 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.07 38.43 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.297 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.698 ' O ' ' HD1' ' A' ' 4' ' ' TYR . 2.8 mp -100.04 132.02 45.65 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -103.35 122.45 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 111.186 -179.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.678 HG12 ' N ' ' A' ' 16' ' ' THR . 0.1 OUTLIER -113.54 164.51 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.032 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.678 ' N ' HG12 ' A' ' 15' ' ' ILE . 51.3 m -125.72 107.29 10.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.992 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -99.49 106.31 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.739 ' O ' ' HB1' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -139.45 128.19 23.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.037 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.739 ' HB1' ' O ' ' A' ' 18' ' ' SER . . . 85.64 -36.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -67.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.801 ' CB ' ' HB3' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -100.89 154.08 18.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.579 179.597 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -137.2 -13.98 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.175 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.719 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 10.0 m-85 -112.23 162.23 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.232 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.59 95.27 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.584 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.866 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 2.7 p90 -100.74 148.43 24.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.358 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.912 ' HE2' ' CE2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -139.07 99.66 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.536 179.613 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.914 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 33.5 t90 -100.21 146.14 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.052 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.983 HD22 ' NH2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -133.67 131.85 40.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.016 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.914 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 49.0 t30 -105.0 118.53 36.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.968 ' HE2' ' HA ' ' A' ' 50' ' ' ASN . 21.8 mtmt -80.88 22.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -133.1 -62.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.294 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.599 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -92.6 21.78 5.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.505 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 25.4 t-20 37.95 22.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.67 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 2.4 mt-10 -89.22 128.89 35.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.724 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.983 ' NH2' HD22 ' A' ' 28' ' ' LEU . 1.9 ptp180 -125.56 134.81 51.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.019 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.866 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 13.5 m0 -99.89 84.76 2.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.629 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.618 ' CG ' HD22 ' A' ' 62' ' ' ASN . 7.7 mp -99.75 119.07 37.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.01 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.55 -166.95 39.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.801 ' HB3' ' CB ' ' A' ' 21' ' ' GLU . 34.3 m -100.51 150.05 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.957 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.76 167.15 22.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.01 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -32.86 23.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.725 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.56 144.75 44.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.708 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.3 t -61.74 148.25 43.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -139.99 25.85 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.849 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.76 139.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 1.065 HG22 HG13 ' A' ' 51' ' ' VAL . 1.9 mt -140.1 88.71 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.225 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -101.41 77.9 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.575 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 7.1 p -100.04 -124.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.739 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.887 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 2.7 p-90 -105.75 -49.14 3.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.968 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -109.27 -19.84 13.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.385 -179.491 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 1.065 HG13 HG22 ' A' ' 46' ' ' ILE . 5.2 t -99.85 132.07 46.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.901 0.381 . . . . 0.0 111.311 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.912 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 1.6 t80 -135.04 104.05 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.828 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.849 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 45.9 t30 -116.94 135.23 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.684 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.729 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -136.5 127.14 27.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.285 -179.77 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.85 153.34 19.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.09 164.52 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.029 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.61 HG22 ' HE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -124.9 4.11 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.5 178.41 4.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.621 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -66.96 158.17 31.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.095 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.619 ' C ' ' O ' ' A' ' 59' ' ' ASN . 48.8 mt 13.99 54.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.322 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.621 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -80.82 -3.92 52.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.985 0.421 . . . . 0.0 110.505 179.619 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.618 HD22 ' CG ' ' A' ' 37' ' ' LEU . 10.5 t30 -106.55 97.57 7.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.779 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.945 ' HE2' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.857 0.361 . . . . 0.0 111.254 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.975 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -129.77 140.92 50.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.55 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 88.8 m -107.89 172.64 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.747 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -116.33 100.99 8.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.609 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.807 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -89.87 173.41 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.817 ' SG ' ' NH2' ' A' ' 35' ' ' ARG . 2.2 t -120.39 112.92 19.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.695 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -68.54 -146.98 0.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.353 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 p -79.15 -40.52 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.969 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 t -133.9 21.23 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -140.66 150.26 21.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.51 15.94 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.349 . . . . 0.0 110.969 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.716 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 49.0 m170 -117.2 50.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.801 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.1 mp -100.38 123.68 44.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.795 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -99.81 108.36 20.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.714 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.491 ' C ' ' HG2' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -115.52 146.59 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.242 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.975 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 5.1 m -90.28 125.76 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.744 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.626 ' SG ' ' SD ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -93.32 146.64 23.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.0 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.18 -177.26 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.26 -11.7 23.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.176 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -81.29 -50.04 10.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.11 101.45 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 p -107.7 2.87 24.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.679 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.622 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 3.5 m-85 -108.91 147.9 31.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.233 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.945 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 42.2 m -115.0 101.95 9.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.205 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.723 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 28.5 p90 -99.87 129.57 45.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.049 0.452 . . . . 0.0 111.713 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 1.02 ' HB3' ' HB2' ' A' ' 62' ' ' ASN . 4.0 ptmt -123.03 97.75 5.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.875 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.939 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 68.1 t90 -101.77 145.87 28.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.348 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.749 HD13 ' HG3' ' A' ' 35' ' ' ARG . 11.8 tp -138.82 128.71 25.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.811 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.939 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 15.4 t-20 -107.9 113.53 26.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.028 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.642 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -78.46 15.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.805 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.853 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 5.1 mm -103.89 -61.2 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.55 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 29.1 t -102.55 -15.86 16.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 32' ' ' SER . 0.4 OUTLIER 87.98 16.73 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.64 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 4.7 tt0 -84.45 129.38 34.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.979 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -117.8 127.81 54.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.727 ' CE3' ' CE3' ' A' ' 27' ' ' TRP . 8.1 m0 -100.04 82.42 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.807 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 6.4 mp -104.11 122.62 45.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 177.09 -172.72 45.64 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 3.2 m -99.3 137.92 37.12 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.856 0.36 . . . . 0.0 111.034 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.622 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.97 168.83 18.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.032 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -80.19 -50.67 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.64 -158.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 16.0 t -116.34 135.28 54.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -113.28 23.44 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.78 ' HA ' HD21 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.75 123.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.771 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 1.117 HG23 HG13 ' A' ' 51' ' ' VAL . 20.8 mt -133.46 81.27 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.252 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.57 89.88 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.816 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.59 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 1.9 p -109.28 -132.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.86 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 2.1 p-90 -98.74 -49.5 4.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.674 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.86 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -110.91 -13.8 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.139 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 1.117 HG13 HG23 ' A' ' 46' ' ' ILE . 14.6 t -102.35 139.34 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.369 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.536 ' HE1' ' HB2' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -140.17 106.14 5.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.951 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 2.8 t30 -117.13 123.0 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.715 ' HE2' ' HZ3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -124.66 126.82 46.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.91 0.386 . . . . 0.0 111.51 -179.575 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 m -100.45 147.03 26.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.496 ' C ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -140.26 -177.96 5.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.496 HG23 ' C ' ' A' ' 56' ' ' CYS . 6.1 p -140.16 2.57 1.91 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.322 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.706 ' HG1' ' N ' ' A' ' 59' ' ' ASN . 0.2 OUTLIER -108.39 172.45 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.168 -179.818 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.706 ' N ' ' HG1' ' A' ' 58' ' ' THR . 0.1 OUTLIER -58.34 155.52 11.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.623 ' C ' ' O ' ' A' ' 59' ' ' ASN . 1.2 mt 16.09 51.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.658 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.6 OUTLIER -76.86 -28.5 55.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 1.02 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 19.9 p-10 -107.23 106.79 17.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.918 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.612 ' HG2' ' HA ' ' A' ' 59' ' ' ASN . 13.4 tmm? . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.82 0.343 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -105.84 143.2 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.98 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.83 -177.59 3.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.032 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.537 ' HE1' ' C ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -129.87 106.65 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.758 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.617 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -100.79 177.87 4.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 45.1 t -133.51 109.07 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -75.29 -171.15 28.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.548 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.732 HG11 ' N ' ' A' ' 9' ' ' SER . 10.9 p -66.57 -40.23 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 111.278 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.732 ' N ' HG11 ' A' ' 8' ' ' VAL . 5.0 t -116.08 0.6 13.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.98 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.566 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -129.46 148.61 18.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.691 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -136.07 18.07 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.023 0.44 . . . . 0.0 110.617 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.602 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -136.02 48.63 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.388 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.93 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -98.85 128.15 44.97 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -179.45 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.73 122.45 42.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.992 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.666 HG13 ' N ' ' A' ' 16' ' ' THR . 0.3 OUTLIER -111.78 156.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.814 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.666 ' N ' HG13 ' A' ' 15' ' ' ILE . 4.4 m -112.3 104.61 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.041 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.052 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -75.94 137.25 40.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.744 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 20' ' ' GLU . 29.2 p -88.3 159.67 17.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.986 0.422 . . . . 0.0 110.987 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -29.88 -37.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -52.11 -50.75 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 1.052 ' HG3' ' HB3' ' A' ' 17' ' ' CYS . 3.7 pt-20 -114.44 138.59 50.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.432 ' O ' ' HE1' ' A' ' 1' ' ' MET . 0.1 OUTLIER -140.11 -1.14 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.689 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-30 -99.8 153.94 18.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.846 ' SG ' ' HB3' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -118.28 103.34 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.716 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 2.8 p90 -99.86 132.02 45.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.025 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.76 ' HZ3' ' HA ' ' A' ' 62' ' ' ASN . 8.7 ttpt -132.86 99.69 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.729 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.934 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 29.6 t90 -101.43 144.8 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.531 HD13 ' H ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -133.08 133.65 43.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.934 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 10.8 t-20 -114.72 116.57 28.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HB3' ' HZ3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -78.44 -2.99 41.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -105.85 -49.27 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.574 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 41.4 t -93.79 2.72 56.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 32' ' ' SER . 0.7 OUTLIER 48.44 14.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.913 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 1.1 tt0 -95.22 145.93 24.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.717 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.503 ' H ' ' HD2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -129.68 131.62 46.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.716 ' HB3' ' HE2' ' A' ' 25' ' ' TYR . 9.7 m0 -99.91 86.05 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.789 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.507 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 9.6 mp -105.87 129.45 54.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.01 -168.0 41.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.63 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.562 ' HB2' ' OE2' ' A' ' 21' ' ' GLU . 4.9 m -99.28 141.82 31.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.689 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -138.5 153.9 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.227 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.842 ' HD2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.88 -18.01 54.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.682 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.708 ' HG1' ' N ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -139.12 -170.57 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.634 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.708 ' N ' ' HG1' ' A' ' 42' ' ' THR . 29.1 t -101.91 145.72 28.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.054 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.651 HG21 HD22 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -134.45 30.55 3.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.801 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -45.6 128.03 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.85 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 8.1 mt -132.69 80.86 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.637 ' C ' ' OD1' ' A' ' 47' ' ' ASP . 2.3 t0 -93.49 100.22 12.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.509 ' HG1' ' N ' ' A' ' 49' ' ' TRP . 72.7 p -120.57 -129.22 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.666 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -109.43 -39.07 5.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.687 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.799 ' H ' HD21 ' A' ' 50' ' ' ASN . 0.0 OUTLIER -114.27 -19.58 11.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.963 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.846 HG13 ' HE1' ' A' ' 27' ' ' TRP . 24.1 t -104.25 139.3 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.443 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -140.0 100.29 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.85 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -112.39 125.74 54.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.41 179.53 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.823 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -127.4 128.65 46.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.552 -179.514 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.823 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -100.01 149.21 23.7 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.38 174.49 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -137.54 29.9 2.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.609 ' HG1' ' HB2' ' A' ' 61' ' ' CYS . 30.7 p -139.96 -177.79 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.039 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.705 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.6 OUTLIER -68.93 162.93 25.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 59' ' ' ASN . 18.2 mt 13.92 51.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.705 ' N ' ' O ' ' A' ' 59' ' ' ASN . 1.6 t -90.02 2.59 55.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.846 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 0.3 OUTLIER -121.28 32.92 5.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.968 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.864 ' SD ' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.762 0.315 . . . . 0.0 111.225 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 1.001 ' HG2' ' HA ' ' A' ' 16' ' ' THR . 8.6 mt-10 -99.98 142.3 31.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.735 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.7 m -123.52 168.19 12.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.765 ' HB2' ' O ' ' A' ' 62' ' ' ASN . 0.4 OUTLIER -101.13 92.15 4.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.609 179.791 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 1.084 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -89.97 170.54 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.713 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 3.3 t -112.9 135.62 53.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.751 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.808 ' N ' HD11 ' A' ' 13' ' ' LEU . . . -95.26 -133.23 7.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.554 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.578 ' CG1' ' N ' ' A' ' 9' ' ' SER . 2.0 p -86.61 -49.74 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.273 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.578 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 41.1 t -124.83 8.42 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.022 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.74 149.84 18.86 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.581 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -127.02 20.37 6.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.965 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.608 ' HA ' ' CD1' ' A' ' 4' ' ' TYR . 1.2 m170 -126.0 52.23 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.805 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.872 HD12 ' O ' ' A' ' 5' ' ' ARG . 3.3 mp -99.67 131.55 45.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.046 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.884 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -100.26 101.62 12.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.7 ' CD1' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -106.84 135.6 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 1.001 ' HA ' ' HG2' ' A' ' 2' ' ' GLU . 48.3 m -96.11 114.14 25.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.074 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 3.6 m -116.95 137.24 52.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -153.96 151.39 29.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 72.04 -31.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.557 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -108.17 -62.37 1.46 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.605 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 1.074 ' HG3' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -110.44 136.99 48.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.631 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.883 HG23 ' HZ2' ' A' ' 41' ' ' LYS . 81.0 p -134.57 -8.6 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.165 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.773 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 2.8 m-85 -104.74 154.4 20.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.969 0.414 . . . . 0.0 111.233 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.791 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 60.8 m -110.67 95.91 5.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.145 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.926 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 10.1 p90 -99.8 137.78 37.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.031 0.443 . . . . 0.0 111.497 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.701 ' NZ ' ' CE2' ' A' ' 52' ' ' TYR . 2.7 ttpt -135.18 97.04 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.393 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.936 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 41.2 t90 -99.78 131.49 45.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.031 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.95 HD13 ' N ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -126.55 123.19 37.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.321 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.95 ' N ' HD13 ' A' ' 28' ' ' LEU . 1.1 t-20 -107.39 110.18 22.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.78 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.83 -2.05 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.601 ' H ' ' ND2' ' A' ' 29' ' ' ASN . 41.1 mm -100.7 -60.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.236 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.714 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.5 t -95.93 22.82 6.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 32' ' ' SER . 0.0 OUTLIER 35.47 19.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.04 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.714 ' N ' ' O ' ' A' ' 32' ' ' SER . 2.0 mt-10 -86.38 134.89 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.613 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.631 ' HG2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -133.77 128.76 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.946 0.403 . . . . 0.0 111.355 -179.659 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.926 ' HB3' ' HE2' ' A' ' 25' ' ' TYR . 7.9 m0 -102.06 87.72 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.47 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 1.084 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 2.7 mp -104.01 127.78 51.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.434 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 159.94 -164.4 34.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.013 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.25 132.52 44.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.757 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -131.58 160.88 34.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.253 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.883 ' HZ2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -84.35 -53.07 5.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.684 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 p -104.26 135.27 46.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.705 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 5.1 t -64.64 134.35 54.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.789 HG22 ' CG ' ' A' ' 53' ' ' ASN . 1.8 t -119.18 34.87 5.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.678 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.94 128.43 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.954 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 68.2 mt -140.03 75.44 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 79.06 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.462 HG23 HG23 ' A' ' 46' ' ' ILE . 45.5 p -99.96 -137.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.755 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.67 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 1.2 p-90 -100.52 -35.83 9.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.751 HD21 ' H ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -113.19 -28.16 7.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.251 -179.812 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.903 HG11 ' NE1' ' A' ' 27' ' ' TRP . 40.8 t -99.77 142.81 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.701 ' CE2' ' NZ ' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -137.56 95.14 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.803 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.954 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -102.95 115.47 30.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.358 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -119.73 120.78 37.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 0.0 111.345 -179.561 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.24 142.29 31.92 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.0 173.28 11.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.857 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.73 0.52 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.68 HG21 ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -103.26 161.79 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.864 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -50.6 153.96 1.49 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 59' ' ' ASN . 76.3 mt 15.49 47.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.732 ' N ' ' O ' ' A' ' 59' ' ' ASN . 2.7 t -70.02 -13.02 62.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.871 HD22 HD22 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -103.88 103.66 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.881 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.708 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 4.6 ttp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.799 0.333 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.823 ' HG2' ' HA ' ' A' ' 16' ' ' THR . 38.7 mt-10 -115.49 150.26 36.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.698 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.7 m -111.63 178.47 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.615 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -120.63 108.16 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.577 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.948 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 8.4 ptt85 -106.74 166.57 10.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.16 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 t -118.44 106.79 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -66.16 -158.79 0.61 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.572 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -91.57 -12.95 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.796 0.331 . . . . 0.0 111.178 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.38 -17.49 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.69 154.32 20.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.612 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.86 20.5 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.829 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.615 ' CD2' ' CE1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -133.14 48.46 2.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.678 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.48 ' CD1' ' H ' ' A' ' 7' ' ' GLY . 4.5 mp -99.66 122.71 43.07 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.985 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.959 ' HE2' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -99.49 114.43 27.39 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.625 HG22 ' HD3' ' A' ' 5' ' ' ARG . 1.1 tt -107.48 156.96 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.823 ' HA ' ' HG2' ' A' ' 2' ' ' GLU . 58.7 m -99.05 132.37 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.962 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.708 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -97.81 142.28 29.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -83.31 166.81 18.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.73 -35.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -50.08 66.89 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.651 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 23.1 mt-10 -100.98 116.11 32.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.835 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 t -130.78 5.59 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.82 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 1.2 m-85 -100.99 161.01 13.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.695 ' HB3' ' HB3' ' A' ' 62' ' ' ASN . 1.3 m -123.29 100.61 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.47 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.462 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.6 OUTLIER -102.55 135.93 43.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 111.523 -179.406 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.598 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -127.69 97.02 4.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.207 179.395 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.847 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 50.4 t90 -101.78 143.04 32.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.144 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.756 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -135.34 134.4 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.957 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.828 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 27.5 t-20 -112.19 112.91 24.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -83.64 17.7 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.552 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 7.6 mm -115.03 -39.75 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.532 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 2.5 t -111.94 -20.29 12.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.9 t-20 85.73 15.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.648 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 4.4 tt0 -101.65 137.57 39.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.899 ' HG3' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -128.9 139.92 51.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.808 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 12.0 m0 -100.44 86.57 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.721 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.948 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 5.3 mp -104.74 127.29 52.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.462 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 166.51 -162.72 36.37 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.698 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 57.7 m -99.58 139.84 34.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.82 0.343 . . . . 0.0 110.816 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.82 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -137.73 146.87 44.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.078 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.883 ' HD2' HG21 ' A' ' 42' ' ' THR . 0.0 OUTLIER -70.64 -17.63 62.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.883 HG21 ' HD2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -138.61 -155.92 0.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.721 ' N ' ' HG1' ' A' ' 42' ' ' THR . 39.3 t -135.39 140.42 44.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.947 HG23 ' ND2' ' A' ' 53' ' ' ASN . 1.1 t -131.08 34.98 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.874 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -37.24 131.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.761 HG21 HG11 ' A' ' 51' ' ' VAL . 7.0 mt -137.83 90.22 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.35 101.51 12.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.585 ' HG1' ' N ' ' A' ' 49' ' ' TRP . 30.0 p -127.42 -137.3 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.53 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.664 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -106.49 -21.63 13.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.79 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.765 HD21 ' H ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -123.55 -32.02 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.772 HG12 ' NE1' ' A' ' 27' ' ' TRP . 54.4 t -99.7 135.98 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -140.09 96.84 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.772 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.947 ' ND2' HG23 ' A' ' 44' ' ' THR . 48.6 t30 -113.14 125.12 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.557 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.467 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -131.68 126.84 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 111.56 -179.676 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.69 151.81 21.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.786 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.606 ' SG ' ' OG1' ' A' ' 58' ' ' THR . 0.0 OUTLIER -150.08 159.4 44.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.046 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.736 HG21 ' HE1' ' A' ' 23' ' ' PHE . 4.1 p -115.07 51.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.035 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.845 ' O ' ' HB3' ' A' ' 61' ' ' CYS . 1.0 OUTLIER -139.58 132.96 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.729 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -40.23 153.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.959 HD12 ' HE2' ' A' ' 14' ' ' LYS . 77.9 mt 12.02 52.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.845 ' HB3' ' O ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -98.14 -21.87 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.695 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 1.7 p-10 -99.53 98.78 9.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.954 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.777 0.322 . . . . 0.0 111.165 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.954 ' N ' ' HG2' ' A' ' 1' ' ' MET . 9.0 mt-10 -103.74 156.06 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.041 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 59.7 m -123.42 -179.45 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.578 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.845 ' O ' HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -129.63 109.93 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.606 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.954 ' HD3' HG23 ' A' ' 15' ' ' ILE . 10.8 ptt180 -93.83 164.96 12.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -121.98 146.28 47.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.742 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.03 -159.72 12.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.576 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 p -88.22 -30.27 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.341 . . . . 0.0 111.163 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.08 0.09 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.26 123.29 1.97 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.582 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -114.49 37.91 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.495 ' C ' ' HE1' ' A' ' 4' ' ' TYR . 18.5 m80 -135.04 50.68 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.779 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.7 mp -99.7 129.09 45.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.698 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -103.59 113.29 26.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.954 HG23 ' HD3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -99.72 150.33 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.715 179.769 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.53 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -104.83 123.15 47.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.987 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.757 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -116.67 110.72 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.859 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.626 ' C ' ' H ' ' A' ' 20' ' ' GLU . 1.2 m -148.86 135.11 19.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 68.04 -29.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.626 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -101.29 -63.61 1.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.646 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.849 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -111.25 150.63 29.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.58 -10.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.721 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.726 ' CE1' HG21 ' A' ' 57' ' ' THR . 2.2 m-30 -110.43 163.45 13.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.076 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.831 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 5.9 m -125.69 97.58 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.303 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.748 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 4.2 p90 -100.69 127.33 47.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.475 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.894 ' HB3' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -126.72 104.96 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.287 179.456 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.944 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 42.2 t90 -99.54 145.14 27.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.057 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -130.83 120.2 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.944 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -100.03 110.18 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.747 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -79.85 11.06 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 mm -114.38 -53.06 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.647 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 1.0 OUTLIER -98.1 -15.89 19.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.647 ' HB3' ' O ' ' A' ' 32' ' ' SER . 26.0 t30 78.77 12.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.829 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 37.4 tt0 -87.87 132.86 34.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.796 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.634 ' HD3' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -124.8 140.86 52.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.048 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.748 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 8.5 m0 -106.94 78.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.784 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.894 ' HG ' ' HB3' ' A' ' 26' ' ' LYS . 1.2 mp -99.95 106.9 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.15 -167.06 32.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.92 ' SG ' HD13 ' A' ' 15' ' ' ILE . 3.6 m -99.44 138.11 36.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 111.035 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.08 176.16 8.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -93.88 -53.29 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.816 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.1 p -110.08 140.73 43.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.783 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.0 t -62.87 147.63 49.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.918 HG22 ' ND2' ' A' ' 53' ' ' ASN . 3.4 t -132.92 30.27 4.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.823 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.91 132.02 1.3 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 1.038 HG23 HG13 ' A' ' 51' ' ' VAL . 54.2 mt -134.35 87.25 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.2 84.27 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.455 ' OG1' ' HB ' ' A' ' 51' ' ' VAL . 48.8 p -105.45 -140.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.626 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.676 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -100.49 -35.6 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.807 ' H ' HD21 ' A' ' 50' ' ' ASN . 0.0 OUTLIER -118.01 -22.81 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.095 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 1.038 HG13 HG23 ' A' ' 46' ' ' ILE . 3.0 t -100.46 138.63 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.16 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -140.03 102.58 4.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.234 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.918 ' ND2' HG22 ' A' ' 44' ' ' THR . 31.1 t30 -110.5 132.26 54.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.335 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.757 ' HE2' ' O ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -134.95 123.51 23.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.207 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.74 155.46 17.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.77 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -145.64 169.23 18.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.944 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.726 HG21 ' CE1' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -134.91 24.03 3.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.674 ' OG1' ' SG ' ' A' ' 61' ' ' CYS . 25.6 p -124.64 154.41 40.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.8 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.625 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 4.8 t-20 -34.03 132.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.786 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.585 ' CD2' ' O ' ' A' ' 3' ' ' CYS . 8.7 mt 21.57 45.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.674 ' SG ' ' OG1' ' A' ' 58' ' ' THR . 7.9 t -64.24 0.65 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.779 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -121.91 81.54 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 1.013 ' HE2' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.81 0.338 . . . . 0.0 111.112 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.941 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.7 mp0 -107.26 159.74 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 33.4 m -125.38 -173.11 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.846 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -126.17 105.6 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.676 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -95.17 173.73 7.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 14.9 t -127.21 118.09 23.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -73.57 -176.85 33.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.652 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.604 ' O ' HG22 ' A' ' 8' ' ' VAL . 4.7 p -63.0 -12.85 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 111.224 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -148.22 -12.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.679 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -112.32 147.36 18.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -129.35 26.51 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.846 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 23.6 m80 -135.22 49.06 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.665 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.676 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.2 mp -99.71 132.14 45.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.184 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -99.8 115.95 30.74 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.046 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.692 ' CG1' ' N ' ' A' ' 16' ' ' THR . 0.7 OUTLIER -111.37 167.15 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.894 0.378 . . . . 0.0 111.0 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.941 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 1.3 m -118.45 116.28 26.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.604 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -80.87 147.32 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -81.18 167.43 19.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.003 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.39 -28.79 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' OE2' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -67.89 -48.17 66.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.693 ' HB3' ' HZ1' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -105.92 123.35 47.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.449 ' O ' ' CE ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -129.57 8.66 5.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.678 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 3.5 m-85 -104.48 153.19 21.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 1.013 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 17.6 m -120.1 102.51 8.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.662 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.654 ' CE2' ' O ' ' A' ' 36' ' ' TRP . 17.3 p90 -102.1 132.33 48.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.892 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -128.31 101.72 6.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.509 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.927 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 46.2 t90 -101.88 144.36 30.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 28' ' ' LEU . 2.3 tp -134.52 135.36 42.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.927 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 38.1 t30 -113.46 119.32 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -83.83 3.85 31.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.695 HG13 HD21 ' A' ' 50' ' ' ASN . 20.7 mm -107.71 -59.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.45 ' HB3' HD21 ' A' ' 29' ' ' ASN . 36.1 t -95.6 2.28 54.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 29' ' ' ASN . 39.6 t30 56.21 18.55 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.668 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 3.5 mt-10 -81.75 136.24 35.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.51 120.48 35.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.045 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.756 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 7.7 m0 -99.92 77.58 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.819 HD21 ' O ' ' A' ' 4' ' ' TYR . 7.4 mp -100.74 137.67 38.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.73 -171.54 38.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.624 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 66.7 m -99.41 142.17 31.24 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.813 0.34 . . . . 0.0 110.782 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.678 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.78 161.56 37.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.693 ' HZ1' ' HB3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -83.68 -14.7 51.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.013 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.731 ' HG1' ' N ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -139.42 -154.67 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.981 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.731 ' N ' ' HG1' ' A' ' 42' ' ' THR . 32.3 t -129.49 138.47 51.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.813 ' O ' HG13 ' A' ' 46' ' ' ILE . 3.2 t -127.33 28.76 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.693 ' CA ' HD21 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -33.84 136.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.016 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.813 HG13 ' O ' ' A' ' 44' ' ' THR . 6.4 mt -140.29 84.87 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.202 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.62 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 1.1 p-10 -96.64 82.64 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.474 HG23 HG22 ' A' ' 46' ' ' ILE . 3.3 p -105.57 -142.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.667 ' CD2' ' OD1' ' A' ' 50' ' ' ASN . 3.9 p-90 -97.33 -31.75 12.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.042 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.695 HD21 HG13 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -120.51 -23.46 6.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.131 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.713 ' CG1' ' HE1' ' A' ' 27' ' ' TRP . 18.9 t -99.52 138.21 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.161 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -140.25 98.72 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.748 ' ND2' ' C ' ' A' ' 44' ' ' THR . 21.6 t30 -113.53 132.25 55.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.484 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.775 ' HE3' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -134.0 128.97 35.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.307 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.51 148.38 25.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.034 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -135.73 158.52 44.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.814 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.7 p -111.78 -3.46 14.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.058 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.763 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -103.44 146.2 28.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.636 ' OD1' ' N ' ' A' ' 60' ' ' LEU . 7.0 t30 -43.94 156.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.772 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.636 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 1.1 mt 21.57 53.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.763 ' HB2' ' O ' ' A' ' 58' ' ' THR . 7.3 t -96.58 35.35 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.892 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -148.34 98.98 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.801 ' HE1' ' C ' ' A' ' 22' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.816 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.4 mt-10 -118.97 143.58 46.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.869 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.9 m -109.17 -179.28 3.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.645 ' HB3' ' O ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -124.16 106.01 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.912 ' HG2' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -98.93 161.56 13.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 6.4 t -107.99 120.34 42.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.921 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.647 ' N ' HD12 ' A' ' 13' ' ' LEU . . . -88.25 177.36 45.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.543 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.624 HG11 ' H ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -48.29 -62.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 111.123 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.624 ' H ' HG11 ' A' ' 8' ' ' VAL . 43.9 t -110.19 25.42 11.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.581 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -149.27 155.39 26.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -138.63 20.34 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 110.823 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.416 ' HD2' ' HE2' ' A' ' 4' ' ' TYR . 49.3 m80 -129.73 50.6 2.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 7' ' ' GLY . 3.0 mp -99.41 127.11 45.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.808 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.62 116.23 31.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 -179.67 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.912 HG22 ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -112.21 139.82 34.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.799 179.786 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.816 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 99.3 m -92.69 105.66 17.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.694 ' SG ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -69.25 131.14 44.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.498 ' HG ' ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -61.93 163.72 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.39 -22.25 4.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.79 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.573 ' OE2' ' CD ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -69.77 -52.58 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.605 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 3.6 pt-20 -106.76 121.63 44.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.824 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.801 ' C ' ' HE1' ' A' ' 1' ' ' MET . 10.1 p -129.97 24.23 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.74 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 13.7 m-85 -108.9 152.12 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.958 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.75 97.71 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.536 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -100.81 123.91 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.495 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.904 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -119.47 101.73 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.085 179.367 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.915 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 55.2 t90 -99.55 144.94 28.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.093 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.935 HD11 ' N ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -132.72 130.01 39.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.935 ' N ' HD11 ' A' ' 28' ' ' LEU . 23.9 t-20 -109.48 99.87 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -70.48 29.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.574 ' H ' ' C ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -119.38 -69.69 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.867 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 5.3 t -90.01 -16.77 29.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.867 ' HB3' ' O ' ' A' ' 32' ' ' SER . 6.2 t30 88.29 23.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.963 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.877 ' HG3' ' HZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -103.7 138.62 40.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.904 ' HE ' HD13 ' A' ' 28' ' ' LEU . 1.9 mtt180 -127.72 141.59 51.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.095 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.757 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 9.5 m0 -99.93 81.7 2.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.717 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.807 ' HG ' HD22 ' A' ' 62' ' ' ASN . 9.0 mp -99.9 122.59 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.536 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 174.8 -167.36 39.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.549 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.869 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 67.1 m -99.48 142.0 31.52 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.795 0.331 . . . . 0.0 110.819 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.74 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.04 162.09 36.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.573 ' CD ' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -77.64 -37.44 50.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.685 179.792 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -126.27 -175.15 3.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.601 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 27.0 t -100.35 143.7 30.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.793 ' O ' HG21 ' A' ' 44' ' ' THR . 1.4 t -131.55 37.78 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.645 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.798 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -44.93 132.74 6.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.919 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 67.5 mt -138.64 75.55 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.8 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.15 86.32 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.206 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 22.0 p -105.45 -127.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.787 ' CE3' ' ND2' ' A' ' 50' ' ' ASN . 2.3 p-90 -106.59 -44.82 4.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.574 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.803 ' H ' HD21 ' A' ' 50' ' ' ASN . 0.0 OUTLIER -108.18 -21.91 12.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.712 ' CG1' ' HE1' ' A' ' 27' ' ' TRP . 64.9 t -100.02 141.06 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.389 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 52' ' ' TYR . 1.7 t80 -140.31 101.77 4.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.919 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 6.3 t30 -112.96 123.1 49.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.389 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HD2' ' HE2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -129.23 124.06 33.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 111.472 -179.516 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.81 152.45 20.11 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.7 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.1 149.02 45.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.49 21.11 17.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.53 ' O ' ' HG3' ' A' ' 1' ' ' MET . 58.3 p -114.08 -153.11 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.734 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -100.07 158.5 15.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.592 ' C ' ' O ' ' A' ' 59' ' ' ASN . 12.3 mt 18.0 43.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.734 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -79.52 24.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.774 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.904 ' HA ' ' HD2' ' A' ' 26' ' ' LYS . 62.0 t-20 -137.43 49.72 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.91 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.964 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 14.7 tmm? . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.832 0.348 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.813 ' OE2' HG23 ' A' ' 16' ' ' THR . 3.4 mp0 -109.78 132.75 53.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.778 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 18.5 m -105.33 -179.2 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.865 ' CD1' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -129.27 109.28 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.755 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.943 ' HG2' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -112.84 163.57 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 -179.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 5.0 t -101.99 121.74 42.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.637 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.884 ' N ' HD12 ' A' ' 13' ' ' LEU . . . -79.02 -159.12 14.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.666 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 9' ' ' SER . 3.8 p -62.74 -53.47 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.214 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.614 ' H ' HG12 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -120.63 -4.13 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.549 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -113.22 152.72 17.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -126.89 13.59 7.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.896 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -121.24 51.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.042 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.884 HD12 ' N ' ' A' ' 7' ' ' GLY . 4.6 mp -99.44 124.24 44.41 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.734 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.61 109.74 22.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.943 HG22 ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -100.15 158.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.94 ' N ' HG13 ' A' ' 15' ' ' ILE . 16.0 m -111.62 122.08 46.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.815 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -88.98 155.75 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.589 ' O ' ' N ' ' A' ' 20' ' ' GLU . 2.5 m -101.9 157.77 16.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -27.39 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -62.75 -53.18 58.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.815 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -104.29 121.3 43.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.6 t -135.04 0.68 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-30 -101.11 156.45 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.964 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 17.9 m -116.08 103.01 10.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.707 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.772 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 1.2 p90 -99.87 125.06 45.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.025 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.628 ' HD3' ' HD2' ' A' ' 54' ' ' LYS . 3.8 ptmt -124.52 97.67 5.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.939 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 21.4 t90 -104.82 147.19 27.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.814 HD12 ' CZ ' ' A' ' 35' ' ' ARG . 26.2 tp -135.72 138.54 42.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.066 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.939 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 9.2 t-20 -115.91 109.39 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -80.96 23.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.405 ' H ' ' C ' ' A' ' 29' ' ' ASN . 7.3 mm -128.95 -36.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.293 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.798 ' HB3' ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -116.6 -7.23 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.1 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 72.3 10.99 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.817 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.863 ' HB3' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.05 149.26 43.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.663 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.814 ' CZ ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -139.76 116.98 11.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.866 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.834 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 8.4 m0 -99.6 72.02 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.755 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.624 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 7.4 mp -106.21 129.43 54.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.811 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.09 -158.68 31.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 74.4 m -99.67 138.24 37.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.953 0.406 . . . . 0.0 111.005 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.65 156.38 46.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.035 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.614 ' HE2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -81.31 -35.52 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -174.49 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.743 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 t -111.72 138.47 48.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.994 HG23 ' ND2' ' A' ' 53' ' ' ASN . 5.7 t -129.7 31.98 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.836 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.11 128.13 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.669 ' H ' ' HB3' ' A' ' 53' ' ' ASN . 7.1 mt -132.66 86.62 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -100.69 84.01 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.392 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.0 p -100.07 -132.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.647 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -109.16 -30.05 8.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 0.0 110.756 179.656 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.756 HD21 ' H ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -116.22 -27.26 6.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.029 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.783 HG12 ' CD1' ' A' ' 27' ' ' TRP . 2.2 t -103.57 140.06 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.447 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.513 ' OH ' ' HE2' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -140.16 105.35 5.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.237 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.994 ' ND2' HG23 ' A' ' 44' ' ' THR . 41.5 t30 -117.88 125.89 51.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.479 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.628 ' HD2' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -126.28 130.05 50.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.403 -179.493 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.74 143.64 29.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.661 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.21 171.19 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.491 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -136.05 22.72 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 1.006 HG21 ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -126.61 164.37 21.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.916 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.679 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -52.56 148.19 7.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.865 HD22 ' CD1' ' A' ' 4' ' ' TYR . 3.9 mt 18.3 47.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.721 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 1.006 ' SG ' HG21 ' A' ' 58' ' ' THR . 2.9 t -65.52 -22.36 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.202 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.721 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 20.0 p-10 -124.8 133.87 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.915 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.891 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.859 0.361 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.699 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -101.51 152.38 20.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.049 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 17.7 m -114.42 -172.31 2.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.767 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.669 ' CD1' ' O ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -127.05 101.44 6.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.848 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -95.89 168.22 10.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.787 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 10' ' ' GLY . 3.9 t -114.14 123.22 49.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.14 -129.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.27 -17.47 6.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 111.184 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -131.52 -0.28 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -147.09 170.88 27.91 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.491 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.507 ' O ' ' OXT' ' A' ' 63' ' ' THR . 0.0 OUTLIER -136.86 36.08 2.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.73 0.3 . . . . 0.0 110.877 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.75 ' C ' HD23 ' A' ' 13' ' ' LEU . 2.4 m170 -133.72 52.71 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.759 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.924 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -99.42 127.64 45.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.643 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.726 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -100.41 112.17 24.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.907 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.848 ' CG2' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -112.24 163.16 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.276 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.813 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.5 m -101.82 132.35 47.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.621 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 1.8 m -107.35 110.36 22.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.989 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.8 t -56.35 167.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.13 -22.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -49.46 45.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.799 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -107.15 115.99 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.88 ' O ' ' HE3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -125.16 -4.76 7.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.802 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.683 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.9 m-85 -101.86 148.34 25.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.8 m -112.93 101.55 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 8.0 p90 -100.48 116.92 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.859 ' HB2' ' HZ2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -115.9 102.29 9.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.953 ' NE1' HG12 ' A' ' 51' ' ' VAL . 28.0 t90 -100.28 137.14 39.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 28' ' ' LEU . 8.2 tp -125.12 131.71 53.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 111.073 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.938 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 3.1 t-20 -112.08 115.61 29.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.984 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 1.76 29.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.467 HD13 HG21 ' A' ' 31' ' ' ILE . 1.6 mm -103.52 -46.32 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.22 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -110.28 6.66 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.6 HD22 HH12 ' A' ' 35' ' ' ARG . 35.5 t30 51.77 19.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.58 ' C ' ' HD3' ' A' ' 35' ' ' ARG . 3.5 tt0 -90.4 136.21 33.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.725 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.873 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -124.95 127.54 47.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 -179.7 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.727 ' CE3' ' CD2' ' A' ' 27' ' ' TRP . 12.8 m0 -101.6 85.11 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.655 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 4' ' ' TYR . 7.4 mp -105.72 114.78 29.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.991 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . -164.35 -178.1 37.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.366 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.799 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 4.0 m -99.32 130.28 45.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.884 0.373 . . . . 0.0 110.972 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.684 ' CA ' ' HZ1' ' A' ' 41' ' ' LYS . . . -132.59 168.01 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.823 ' NZ ' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -79.78 -40.15 29.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.757 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.428 ' HB ' ' H ' ' A' ' 43' ' ' CYS . 2.1 p -111.75 -154.81 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.839 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 4.4 t -117.96 145.27 44.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.931 HG23 HD22 ' A' ' 53' ' ' ASN . 6.8 t -125.77 30.01 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.761 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -46.57 130.64 11.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.694 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 9.2 mt -136.89 84.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.99 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -94.87 91.82 6.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.501 ' HG1' ' H ' ' A' ' 51' ' ' VAL . 49.2 p -112.37 -133.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.495 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.667 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -104.82 -40.35 5.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.734 179.685 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.754 HD21 ' N ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -112.87 -22.14 10.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.931 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.953 HG12 ' NE1' ' A' ' 27' ' ' TRP . 13.6 t -100.68 136.33 32.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.558 ' HE2' ' HE2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -139.97 99.14 3.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.931 HD22 HG23 ' A' ' 44' ' ' THR . 17.0 t30 -110.6 129.71 55.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HD2' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -126.91 126.59 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.526 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.6 m -99.92 143.68 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.112 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.32 172.74 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.676 HG23 ' CE2' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -140.03 14.94 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.129 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.643 ' O ' ' SD ' ' A' ' 1' ' ' MET . 41.0 p -108.02 -151.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.891 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 27.0 t30 -99.01 147.61 24.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.997 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 59' ' ' ASN . 1.2 mt 17.35 46.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.696 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.6 OUTLIER -78.55 4.17 14.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.678 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.767 ' OD1' ' HG2' ' A' ' 26' ' ' LYS . 1.2 m-20 -99.9 -157.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.999 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.669 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.676 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.676 ' N ' ' HG2' ' A' ' 1' ' ' MET . 18.9 mp0 -121.15 164.91 16.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.699 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.8 m -135.32 -169.56 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.896 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -131.27 109.84 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.984 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.75 167.79 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.9 t -114.74 135.36 54.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.64 -170.1 16.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.54 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.06 -72.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 0.0 111.103 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.42 ' O ' ' OG ' ' A' ' 9' ' ' SER . 2.8 t -111.15 16.34 21.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -140.95 109.92 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.441 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.36 25.1 10.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.896 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 9.2 m80 -121.6 50.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.984 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.1 mp -99.85 138.84 36.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -102.67 115.95 31.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.622 HG13 ' N ' ' A' ' 16' ' ' THR . 0.1 OUTLIER -101.57 157.58 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.02 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.667 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 62.1 m -112.44 107.55 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.646 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -108.75 119.76 40.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.021 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.614 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -165.0 118.69 1.26 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.795 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 18' ' ' SER . . . 94.93 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.526 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -100.94 -64.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.453 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.894 ' HB2' ' HB2' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -107.44 139.0 42.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 179.51 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.545 ' O ' ' HE2' ' A' ' 1' ' ' MET . 0.2 OUTLIER -135.77 -6.58 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.094 -179.69 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.874 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.0 m-30 -104.76 152.49 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.29 95.49 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.414 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.694 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -99.52 135.1 41.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 0.0 111.27 -179.457 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.833 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -131.24 98.69 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.575 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.904 ' HB3' ' HB2' ' A' ' 36' ' ' TRP . 41.9 t90 -99.78 145.23 27.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.125 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.738 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 17.3 tp -131.96 128.26 38.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.068 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.884 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -106.28 108.4 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.687 179.829 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 50' ' ' ASN . 7.2 mtpt -74.82 15.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.2 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.856 ' HB ' HD22 ' A' ' 29' ' ' ASN . 41.0 mm -119.51 -51.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.686 ' H ' ' ND2' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -108.46 8.44 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.733 179.775 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.586 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 2.1 t30 55.38 11.88 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.778 ' HB3' ' CZ3' ' A' ' 27' ' ' TRP . 2.3 tt0 -70.41 126.1 28.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.738 ' HG2' ' CD1' ' A' ' 28' ' ' LEU . 51.4 mtt180 -119.13 126.35 51.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.28 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.904 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 6.1 m0 -99.93 80.87 2.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.812 HD21 ' OD1' ' A' ' 62' ' ' ASN . 4.1 mp -103.53 125.01 49.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.005 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.694 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 166.97 -175.28 42.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.496 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.894 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.29 124.61 44.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.807 0.337 . . . . 0.0 110.988 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -119.36 172.75 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.526 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -68.77 -58.26 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.439 ' HB ' ' H ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -115.73 -157.23 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.766 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.439 ' H ' ' HB ' ' A' ' 42' ' ' THR . 8.5 t -108.07 148.29 30.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.979 HG23 ' ND2' ' A' ' 53' ' ' ASN . 1.3 t -139.04 39.84 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.812 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -46.65 136.27 7.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.879 HG22 HG11 ' A' ' 51' ' ' VAL . 20.6 mt -139.04 90.57 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.19 80.8 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.419 ' HG1' ' HB ' ' A' ' 51' ' ' VAL . 16.1 p -101.31 -136.17 0.32 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.479 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.6 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -97.6 -46.15 6.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.895 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.766 ' OD1' HG12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -113.42 -18.42 12.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.365 -179.555 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.879 HG11 HG22 ' A' ' 46' ' ' ILE . 4.4 t -100.21 127.66 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.763 0.316 . . . . 0.0 111.165 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 52' ' ' TYR . 4.5 t80 -132.44 103.81 6.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.979 ' ND2' HG23 ' A' ' 44' ' ' THR . 37.2 t30 -111.65 128.9 56.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HB3' ' HZ3' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -129.27 126.37 38.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.27 -179.682 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.66 150.57 22.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.25 172.74 12.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -140.0 24.23 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -126.59 158.1 37.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.593 ' O ' ' C ' ' A' ' 60' ' ' LEU . 47.9 t30 -41.93 142.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.593 ' C ' ' O ' ' A' ' 59' ' ' ASN . 38.3 mt 19.57 61.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.939 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 58' ' ' THR . 1.9 t -85.78 8.2 20.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.884 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.833 ' OD1' ' HB3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -133.31 106.37 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.966 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.754 ' SD ' ' O ' ' A' ' 58' ' ' THR . 33.2 ttp . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.678 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 2.2 tt0 -124.01 128.3 49.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 72.2 m -103.62 -177.88 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.861 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -123.84 105.9 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.141 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.852 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 2.7 ptt180 -98.19 163.25 12.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.679 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.575 ' SG ' ' NH1' ' A' ' 35' ' ' ARG . 5.4 t -107.4 115.48 30.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.904 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.708 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -68.21 -154.79 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.508 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.47 -29.21 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.332 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 t -128.36 7.78 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.42 165.12 27.56 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.579 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -134.75 25.53 3.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.743 0.306 . . . . 0.0 110.79 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.861 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 40.4 m80 -130.47 50.26 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.168 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.708 ' CD1' ' H ' ' A' ' 7' ' ' GLY . 1.8 mp -99.71 127.89 45.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.563 ' HG3' ' HG2' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -99.59 118.26 35.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.778 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.852 ' HB ' ' NE ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -120.81 148.42 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.249 -179.787 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.427 ' N ' HG12 ' A' ' 15' ' ' ILE . 17.7 m -95.76 132.14 41.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.6 m -82.11 156.15 24.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.3 m -86.62 169.74 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.52 -17.48 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -38.75 16.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -107.65 126.08 52.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.524 ' O ' ' HE3' ' A' ' 1' ' ' MET . 81.3 p -134.44 8.1 3.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.451 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.513 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 6.9 m-85 -106.6 154.23 21.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.026 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.683 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 48.5 m -117.31 101.32 8.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.304 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.609 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -103.45 133.38 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.426 . . . . 0.0 111.609 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 10.3 ptmt -127.12 100.73 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.144 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.875 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 60.1 t90 -99.79 142.76 30.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.266 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.863 HD11 ' N ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -135.53 129.98 33.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.773 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.875 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.5 OUTLIER -108.93 119.47 39.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.018 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -76.73 -10.36 59.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.849 HD12 ' HB2' ' A' ' 50' ' ' ASN . 1.1 mp -100.54 -50.02 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.981 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.733 ' O ' ' N ' ' A' ' 34' ' ' GLU . 40.5 t -98.08 11.85 36.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.694 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER 37.51 15.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.052 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.733 ' N ' ' O ' ' A' ' 32' ' ' SER . 1.5 tp10 -85.99 136.41 33.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.575 ' NH1' ' SG ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -122.25 126.18 47.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.191 -179.788 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.722 ' CE3' ' CD2' ' A' ' 27' ' ' TRP . 13.8 m0 -99.84 84.17 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.645 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 11.2 mp -101.46 125.63 48.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.609 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 172.66 -168.41 41.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.623 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 77.4 m -99.46 142.71 30.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.819 0.343 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.26 161.06 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.816 ' HE3' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -79.45 -27.07 41.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.588 HG22 ' HZ1' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -134.5 -176.3 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.57 179.811 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.482 ' N ' ' OG1' ' A' ' 42' ' ' THR . 26.7 t -102.49 149.69 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.973 0.416 . . . . 0.0 111.139 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.82 HG22 ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -134.75 37.2 3.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.617 179.78 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.07 130.68 4.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.071 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.939 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 14.2 mt -140.25 76.91 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.069 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 7.7 p-10 -93.83 90.02 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.1 p -108.51 -134.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.678 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -103.41 -31.27 10.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.849 ' HB2' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -120.57 -26.88 5.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.248 -179.647 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.778 HG13 ' HE1' ' A' ' 27' ' ' TRP . 3.4 t -99.63 143.93 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.362 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.525 ' N ' HG11 ' A' ' 51' ' ' VAL . 2.2 t80 -140.3 106.39 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.264 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.939 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 6.3 t30 -113.02 122.41 47.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.243 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.635 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -130.21 124.26 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.995 0.426 . . . . 0.0 111.824 -179.301 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.635 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -105.61 151.34 24.48 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.624 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.94 146.18 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 111.142 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -101.09 9.25 42.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.754 ' O ' ' SD ' ' A' ' 1' ' ' MET . 1.5 p -107.68 -179.26 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.84 ' OD1' HD11 ' A' ' 60' ' ' LEU . 20.7 t-20 -70.87 151.22 44.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.84 HD11 ' OD1' ' A' ' 59' ' ' ASN . 0.7 OUTLIER 12.51 50.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.314 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.734 ' N ' ' O ' ' A' ' 59' ' ' ASN . 39.0 t -73.1 7.78 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 0.0 110.646 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.487 ' C ' ' OD1' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -125.13 119.61 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.81 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.882 ' HE2' ' C ' ' A' ' 22' ' ' THR . 1.3 ttp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -122.81 144.39 49.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.552 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 1.8 m -113.89 -175.57 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.723 ' OH ' ' ND1' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -126.63 106.9 9.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.811 ' O ' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.94 154.68 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.52 114.59 28.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.667 ' H ' HD13 ' A' ' 13' ' ' LEU . . . -68.91 -133.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.583 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.541 HG11 ' N ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -103.85 -36.11 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.845 0.355 . . . . 0.0 111.117 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.541 ' N ' HG11 ' A' ' 8' ' ' VAL . 32.9 t -126.54 2.87 6.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.79 144.59 16.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.602 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.2 38.32 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.776 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.723 ' ND1' ' OH ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -139.54 49.3 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.765 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.811 HD11 ' O ' ' A' ' 5' ' ' ARG . 4.6 mp -99.56 131.88 45.27 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.79 117.1 33.39 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.729 ' CG2' ' HD3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -114.3 154.58 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.617 ' N ' HG12 ' A' ' 15' ' ' ILE . 30.0 m -102.06 114.77 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.549 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 1.9 m -89.39 120.79 31.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -175.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.38 -10.33 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.088 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -49.35 15.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -105.09 128.28 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.882 ' C ' ' HE2' ' A' ' 1' ' ' MET . 0.1 OUTLIER -131.9 -7.91 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.153 -179.711 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.895 ' CE1' HG21 ' A' ' 57' ' ' THR . 3.6 m-30 -100.39 147.04 26.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.962 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.772 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 6.3 m -113.21 103.98 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.758 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.7 OUTLIER -100.42 125.26 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.997 ' HB2' ' HB2' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -123.55 101.65 7.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.965 ' HE1' HG13 ' A' ' 51' ' ' VAL . 63.2 t90 -100.0 139.4 35.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 1.051 HD12 ' HD2' ' A' ' 35' ' ' ARG . 2.0 tp -130.36 127.62 39.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.883 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.908 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 8.4 t-20 -105.22 115.66 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.3 mtpt -87.77 19.91 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.501 ' HB ' HD22 ' A' ' 29' ' ' ASN . 17.4 mm -113.1 -44.32 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.223 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.611 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 11.0 t -117.52 -21.44 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.611 ' CB ' ' O ' ' A' ' 32' ' ' SER . 0.4 OUTLIER 93.07 18.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.674 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -88.14 131.3 34.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.827 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 1.051 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -122.66 134.53 54.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.99 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.758 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 10.6 m0 -108.14 84.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.681 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.872 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 11.0 mp -103.81 130.99 51.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.003 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.48 -173.81 46.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 1.7 m -99.35 135.14 41.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 111.055 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.658 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -136.37 171.25 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.022 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HE3' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -86.95 -41.48 13.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -113.64 -158.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.5 ' N ' ' OG1' ' A' ' 42' ' ' THR . 31.8 t -118.84 151.04 38.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.785 ' O ' HG13 ' A' ' 46' ' ' ILE . 2.8 t -135.37 24.86 3.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.686 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.773 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.83 132.42 0.33 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.785 HG13 ' O ' ' A' ' 44' ' ' THR . 5.8 mt -138.9 74.63 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.428 ' OD2' ' OE2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -92.92 104.68 16.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.328 -179.697 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.474 ' HG1' ' H ' ' A' ' 49' ' ' TRP . 30.2 p -126.23 -127.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.318 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.791 ' CE3' ' ND2' ' A' ' 50' ' ' ASN . 0.4 OUTLIER -111.52 -26.41 9.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.705 179.78 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.842 ' N ' HD21 ' A' ' 50' ' ' ASN . 0.0 OUTLIER -124.25 -30.64 3.41 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.965 HG13 ' HE1' ' A' ' 27' ' ' TRP . 34.1 t -102.79 123.33 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.156 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.571 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -127.27 104.25 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.225 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.773 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 19.2 t30 -112.44 132.92 54.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.241 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.757 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.5 OUTLIER -134.13 125.08 27.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.39 . . . . 0.0 111.783 -179.349 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.757 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -100.48 149.95 23.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.44 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.49 ' C ' HG23 ' A' ' 57' ' ' THR . 0.1 OUTLIER -141.02 170.48 15.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.882 0.372 . . . . 0.0 111.097 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.895 HG21 ' CE1' ' A' ' 23' ' ' PHE . 1.5 p -138.16 21.98 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.69 ' CG2' ' H ' ' A' ' 59' ' ' ASN . 13.5 t -110.18 -127.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.737 ' O ' ' N ' ' A' ' 61' ' ' CYS . 6.5 t-20 -118.96 136.32 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.591 ' O ' HG21 ' A' ' 63' ' ' THR . 57.9 mt 20.24 41.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.034 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.737 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.4 OUTLIER -64.84 -30.81 71.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.73 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.997 ' HB2' ' HB2' ' A' ' 26' ' ' LYS . 21.7 p-10 -97.32 76.99 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.591 HG21 ' O ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.765 ' HE1' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.741 0.305 . . . . 0.0 111.187 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.95 ' HG3' HD22 ' A' ' 59' ' ' ASN . 0.0 OUTLIER -100.1 141.18 33.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.0 m -114.27 -179.01 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.767 ' HB2' ' O ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -114.56 101.97 9.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.619 179.825 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.915 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -101.49 -169.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 -179.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.657 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 2.4 t -123.28 119.64 30.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.07 -145.35 1.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.582 ' CG1' ' N ' ' A' ' 9' ' ' SER . 9.1 p -73.73 -57.37 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.582 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -118.38 5.59 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -120.15 169.14 13.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.409 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.657 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -139.54 4.71 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 111.223 -179.824 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.687 ' C ' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -111.81 48.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.998 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.915 ' HB2' ' HD3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -99.49 129.73 45.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.831 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.831 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -99.57 106.81 18.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.014 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.545 HG12 ' N ' ' A' ' 16' ' ' THR . 2.6 tt -101.87 161.34 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.545 ' N ' HG12 ' A' ' 15' ' ' ILE . 1.8 m -111.96 117.79 33.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.524 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -118.58 137.76 53.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.611 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -166.98 137.9 3.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.126 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.611 ' CB ' ' O ' ' A' ' 18' ' ' SER . . . 95.26 -41.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.043 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.734 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -110.39 -59.7 1.91 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.823 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.36 141.42 35.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.798 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.679 ' O ' ' HE3' ' A' ' 1' ' ' MET . 0.6 OUTLIER -139.07 -12.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.54 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 7.8 m-85 -105.18 143.79 32.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.765 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 52.0 m -106.76 97.42 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.698 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -99.66 133.93 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.317 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.895 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 1.2 ptmt -132.15 104.6 6.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.726 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.924 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 16.6 t90 -99.68 140.96 33.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.757 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' HA ' HD11 ' A' ' 28' ' ' LEU . 19.9 tp -128.54 134.72 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.366 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.924 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 2.1 t-20 -112.84 116.8 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.831 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 30' ' ' LYS . 14.6 mtpt -86.43 13.79 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.062 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 31' ' ' ILE . 4.0 mm -117.61 -34.88 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.473 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.591 ' HB2' ' OD1' ' A' ' 29' ' ' ASN . 0.6 OUTLIER -122.54 -3.67 8.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.8 t30 67.22 16.68 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.758 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.714 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 0.1 OUTLIER -81.69 129.8 34.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.507 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 13.9 mtm180 -122.84 120.37 33.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.774 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 11.6 m0 -99.82 83.79 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.823 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 10.9 mp -104.83 135.66 45.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.29 -175.13 44.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.429 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.823 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.38 124.53 44.58 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.977 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.86 170.75 9.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.734 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -85.44 -31.67 22.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.736 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.13 -163.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.694 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.1 t -122.37 136.76 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.928 HG22 ' ND2' ' A' ' 53' ' ' ASN . 0.9 OUTLIER -126.98 37.77 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.888 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -37.03 136.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.898 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 4.8 mt -136.11 78.33 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.058 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.55 79.89 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.024 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.492 ' OG1' ' HB ' ' A' ' 51' ' ' VAL . 9.0 p -105.85 -134.69 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.697 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.785 ' CH2' ' ND2' ' A' ' 50' ' ' ASN . 1.0 OUTLIER -101.96 -42.29 6.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.711 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.785 ' ND2' ' CH2' ' A' ' 49' ' ' TRP . 2.6 p30 -109.62 -24.22 11.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.831 HG11 ' CD1' ' A' ' 27' ' ' TRP . 99.0 t -99.66 138.35 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.051 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' O ' ' CG ' ' A' ' 52' ' ' TYR . 4.5 t80 -139.47 94.17 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.928 ' ND2' HG22 ' A' ' 44' ' ' THR . 34.9 t30 -103.95 125.96 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.596 ' HD3' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -131.92 122.35 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.281 -179.615 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.596 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 1.8 m -99.86 147.2 25.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.807 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -133.95 156.01 48.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.0 p -121.48 12.78 10.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.78 ' HG1' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -120.99 145.22 47.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.95 HD22 ' HG3' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -37.7 149.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.696 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.757 HD11 ' HE2' ' A' ' 14' ' ' LYS . 61.0 mt 18.19 56.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.763 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.78 ' HB2' ' HG1' ' A' ' 58' ' ' THR . 43.6 t -92.3 -22.4 19.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.903 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.895 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 1.8 p-10 -102.92 117.25 34.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.667 HG21 ' OXT' ' A' ' 63' ' ' THR . 13.9 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.917 ' HE1' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.862 0.363 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.644 ' CD ' ' HB2' ' A' ' 14' ' ' LYS . 32.9 tt0 -107.68 140.45 40.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.771 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 m -116.59 170.09 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.66 ' O ' HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -110.17 99.02 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.907 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -101.43 -161.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.454 ' H ' ' HB2' ' A' ' 5' ' ' ARG . 1.8 t -126.67 159.4 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.716 ' N ' HD12 ' A' ' 13' ' ' LEU . . . -113.77 -106.56 2.73 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.441 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.764 HG13 ' N ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -130.06 -35.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 111.05 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.764 ' N ' HG13 ' A' ' 8' ' ' VAL . 38.5 t -122.6 -13.63 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.729 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.77 148.8 18.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.332 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.558 ' O ' ' HD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -117.45 41.29 2.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.372 . . . . 0.0 110.94 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.558 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 20.3 m170 -139.23 52.17 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 7' ' ' GLY . 4.6 mp -99.41 127.24 45.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.644 ' HB2' ' CD ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -98.91 102.21 13.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.058 -179.5 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.808 HG21 ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -110.89 121.08 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.627 ' HA ' ' HA ' ' A' ' 2' ' ' GLU . 3.4 m -89.82 125.58 35.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.758 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -47.65 169.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.549 ' C ' ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -92.83 39.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 72.34 -25.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.202 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.549 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -66.79 -48.43 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.598 ' HB3' ' C ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -102.01 155.01 18.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.823 ' C ' ' HE3' ' A' ' 1' ' ' MET . 65.8 p -138.63 3.56 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.563 ' CD2' ' O ' ' A' ' 56' ' ' CYS . 9.0 m-85 -99.81 150.38 22.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.917 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 17.2 m -113.49 102.78 10.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.454 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.644 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 5.8 p90 -99.87 128.54 45.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.213 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 1.017 ' HD2' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -126.18 99.16 5.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.418 179.698 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.936 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 45.8 t90 -103.56 147.43 27.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.034 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.715 HD12 ' HB3' ' A' ' 35' ' ' ARG . 19.8 tp -139.82 133.5 30.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.936 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 6.5 t-20 -112.23 105.4 13.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 2.67 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.521 HG22 HD12 ' A' ' 31' ' ' ILE . 1.8 mm -100.03 -55.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.569 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 8.5 t -91.2 -26.46 19.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.722 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 32' ' ' SER . 7.9 t30 88.82 10.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.699 ' OE1' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -96.17 143.93 26.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.795 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.715 ' HB3' HD12 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -127.74 142.86 51.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.987 0.422 . . . . 0.0 111.106 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.681 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 9.4 m0 -106.3 84.82 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.62 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.907 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 11.1 mp -104.66 127.54 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.056 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' C ' ' CE1' ' A' ' 25' ' ' TYR . . . 169.98 -161.68 34.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.57 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 19.9 m -99.68 147.31 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.598 ' C ' ' HB3' ' A' ' 21' ' ' GLU . . . -140.98 160.56 39.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.22 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.893 ' HD3' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -89.17 -25.22 21.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.453 ' HB ' ' H ' ' A' ' 43' ' ' CYS . 0.6 OUTLIER -128.77 -154.28 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.559 179.749 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.453 ' H ' ' HB ' ' A' ' 42' ' ' THR . 28.0 t -122.04 138.09 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.059 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.972 HG23 ' ND2' ' A' ' 53' ' ' ASN . 6.5 t -124.91 30.61 5.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.637 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.837 ' HA ' HD21 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -45.63 128.89 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.896 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 44' ' ' THR . 4.7 mt -138.62 82.75 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.992 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -95.32 92.99 7.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.4 p -118.18 -131.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.476 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.679 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -107.76 -36.18 6.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.941 179.85 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.742 ' ND2' ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -115.56 -23.44 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.184 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.814 HG13 ' NE1' ' A' ' 27' ' ' TRP . 51.4 t -104.33 126.56 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.364 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -130.95 101.71 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.002 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.972 ' ND2' HG23 ' A' ' 44' ' ' THR . 5.5 t30 -117.08 127.66 54.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.508 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 1.017 ' HD3' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -125.85 128.3 47.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 111.365 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -99.84 141.81 32.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.666 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.893 ' HB2' ' HZ1' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -131.88 175.23 9.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.958 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.486 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.5 OUTLIER -139.99 16.2 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.299 -179.624 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.596 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 81.4 p -126.27 151.92 46.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.922 0.391 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.719 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 0.1 OUTLIER -40.83 149.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.608 ' C ' ' O ' ' A' ' 59' ' ' ASN . 60.7 mt 17.52 59.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 58' ' ' THR . 9.1 t -81.99 -1.42 48.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.792 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -129.51 128.3 42.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.774 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.941 ' HE1' ' SG ' ' A' ' 24' ' ' CYS . 2.2 ttt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.886 0.374 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.844 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -103.92 154.9 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 1.8 m -112.86 -172.61 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.594 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.653 ' HD2' ' HA ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -138.12 115.56 11.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.47 179.748 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.987 ' HD2' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -111.09 171.66 7.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 -179.664 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 10' ' ' GLY . 1.8 t -112.37 130.8 55.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -89.47 -172.07 45.45 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.403 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.659 HG11 ' H ' ' A' ' 9' ' ' SER . 13.1 p -45.78 -60.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.659 ' H ' HG11 ' A' ' 8' ' ' VAL . 2.1 t -125.32 26.35 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.795 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -138.73 157.99 24.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -137.5 24.97 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.874 -179.856 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -120.79 46.26 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.602 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 1.8 mp -99.67 119.64 38.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.692 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HA ' ' HD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -98.64 111.33 23.73 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 -179.39 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.987 HG22 ' HD2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -104.43 169.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.601 ' N ' ' CG1' ' A' ' 15' ' ' ILE . 3.2 m -125.46 116.33 21.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -79.28 175.31 10.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.628 ' O ' ' N ' ' A' ' 20' ' ' GLU . 56.0 m -126.71 161.51 27.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -31.27 -30.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.628 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -65.52 -50.9 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.702 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -109.65 133.93 52.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.666 ' O ' ' HE3' ' A' ' 1' ' ' MET . 17.1 p -135.95 -2.99 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.73 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.939 ' HE1' HG21 ' A' ' 57' ' ' THR . 1.2 m-85 -100.48 148.05 25.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.982 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.941 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 5.7 m -118.0 97.07 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.366 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.527 ' H ' ' HD1' ' A' ' 25' ' ' TYR . 0.7 OUTLIER -99.76 133.39 44.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.065 0.459 . . . . 0.0 111.382 -179.51 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.861 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -125.83 103.7 7.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.47 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.948 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 12.2 t90 -106.49 146.93 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.578 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 18.6 tp -138.07 135.59 35.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.948 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 48.2 t-20 -114.5 97.37 6.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.035 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.559 ' CB ' ' NZ ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -61.61 11.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.845 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.656 ' H ' ' C ' ' A' ' 29' ' ' ASN . 13.8 mm -116.02 -53.83 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.478 ' H ' ' CG ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -95.65 5.61 51.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t30 52.88 9.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.477 ' H ' ' C ' ' A' ' 32' ' ' SER . 28.9 tt0 -86.1 138.23 32.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.578 ' HG2' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.08 129.01 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.816 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 13.2 m0 -99.99 83.42 2.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.962 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 5.7 mp -105.62 117.28 33.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.487 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . -179.37 -171.86 42.91 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.596 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.9 m -99.5 140.66 33.36 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.0 111.017 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -138.34 165.03 27.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.616 ' HD2' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -75.14 -24.55 57.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.509 ' CA ' ' HD2' ' A' ' 23' ' ' PHE . 10.7 p -136.9 -155.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 7.6 t -111.74 149.85 31.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.871 ' O ' HG21 ' A' ' 44' ' ' THR . 0.5 OUTLIER -130.42 26.25 5.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.711 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -41.4 132.35 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.843 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.82 HG13 ' O ' ' A' ' 44' ' ' THR . 15.9 mt -140.16 98.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.251 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.01 103.65 15.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.96 HG22 ' HB ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -129.51 -149.6 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.397 179.758 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.678 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 1.5 p-90 -96.73 -26.4 15.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 0.0 110.793 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.757 ' H ' HD21 ' A' ' 50' ' ' ASN . 0.0 OUTLIER -128.48 -18.88 3.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.809 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.96 ' HB ' HG22 ' A' ' 48' ' ' THR . 52.7 t -107.0 117.48 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.504 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 46' ' ' ILE . 2.0 t80 -127.37 108.74 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.79 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.741 ' ND2' ' C ' ' A' ' 44' ' ' THR . 26.4 t30 -117.67 131.48 56.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.476 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.54 ' HD2' ' HD2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -129.27 124.87 35.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 111.247 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.513 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.6 m -99.32 148.08 24.53 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.773 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -137.04 159.91 40.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.094 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.939 HG21 ' HE1' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -121.01 30.37 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.924 ' HG1' ' HB2' ' A' ' 61' ' ' CYS . 4.2 p -132.85 167.81 19.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.846 ' ND2' HD11 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -51.33 140.65 16.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.846 HD11 ' ND2' ' A' ' 59' ' ' ASN . 1.2 mp 18.83 42.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.924 ' HB2' ' HG1' ' A' ' 58' ' ' THR . 8.6 t -64.86 -13.36 56.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.717 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.861 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 17.1 p-10 -111.86 76.46 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.653 ' HA ' ' HD2' ' A' ' 4' ' ' TYR . 62.7 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.625 ' SD ' ' O ' ' A' ' 22' ' ' THR . 15.5 ttp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.82 0.343 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.87 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -136.85 153.35 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 10.8 m -131.51 178.19 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.717 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -128.79 106.91 9.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.793 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.786 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -95.53 174.56 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.997 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -114.36 154.59 27.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.04 -170.99 12.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.449 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.31 3.39 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 111.194 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 t -147.47 -20.89 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.802 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.562 ' O ' HD13 ' A' ' 13' ' ' LEU . . . -145.84 125.19 2.23 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.551 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t -100.04 36.4 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 110.783 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.717 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -137.01 52.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.875 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 10' ' ' GLY . 3.4 mp -99.2 125.39 44.77 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.647 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.642 ' HB2' ' OE1' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -98.91 115.92 29.96 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.248 -179.317 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.87 ' O ' ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -109.73 148.51 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.728 179.643 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.649 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -105.41 118.43 36.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.154 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 21.5 p -112.7 116.86 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.706 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.623 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -152.7 134.19 14.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.623 ' CB ' ' O ' ' A' ' 18' ' ' SER . . . 94.25 -40.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -59.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.776 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.816 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -111.27 132.08 54.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.625 ' O ' ' SD ' ' A' ' 1' ' ' MET . 1.3 p -128.09 -5.29 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.017 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.548 ' CE2' HG22 ' A' ' 57' ' ' THR . 9.3 m-85 -101.48 162.54 12.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.582 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -122.24 99.38 6.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.481 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.93 ' HD2' ' HB2' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -102.45 135.85 43.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.269 -179.537 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.39 105.63 8.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.964 ' HE1' HG12 ' A' ' 51' ' ' VAL . 31.9 t90 -103.81 147.03 27.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.633 HD11 ' N ' ' A' ' 29' ' ' ASN . 3.3 tp -138.35 130.28 28.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 111.097 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.939 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 62.0 t-20 -108.83 109.57 20.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 1.6 mtmt -76.85 12.99 1.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.012 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.515 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 13.2 mm -114.36 -47.09 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.0 15.62 22.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.099 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 45.47 23.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.584 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 1.3 mt-10 -104.78 130.06 52.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.717 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.63 ' HA ' ' CE3' ' A' ' 27' ' ' TRP . 1.2 ptt180 -128.97 148.65 50.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.293 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.741 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 7.4 m0 -107.13 94.0 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.696 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.712 ' CB ' HD22 ' A' ' 62' ' ' ASN . 4.3 mp -104.47 118.75 37.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.83 -164.44 37.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.542 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 12.5 m -99.8 151.61 21.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.93 ' HB2' ' HD2' ' A' ' 25' ' ' TYR . . . -140.83 160.65 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.224 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.9 ' HD2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.29 -25.19 46.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.062 0.458 . . . . 0.0 110.286 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.456 HG21 ' C ' ' A' ' 41' ' ' LYS . 17.7 p -140.01 -168.5 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.397 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.81 137.69 38.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.935 0.397 . . . . 0.0 110.997 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.858 HG22 ' O ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -123.88 29.66 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.815 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.75 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -40.95 132.99 2.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 1.009 HG21 HG11 ' A' ' 51' ' ' VAL . 40.5 mt -140.28 86.67 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.15 84.85 3.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.612 HG22 HG23 ' A' ' 46' ' ' ILE . 30.4 p -100.92 -143.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.663 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -106.34 -18.77 13.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.704 179.753 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.717 ' ND2' ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -125.17 -29.92 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 1.009 HG11 HG21 ' A' ' 46' ' ' ILE . 2.5 t -106.83 146.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.98 0.419 . . . . 0.0 111.391 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -140.33 113.23 8.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.807 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -117.25 130.39 56.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.417 179.798 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HZ3' ' HG3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -131.87 126.9 35.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.961 0.41 . . . . 0.0 111.582 -179.519 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.44 150.48 22.59 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.55 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.568 ' SG ' HG21 ' A' ' 58' ' ' THR . 0.1 OUTLIER -145.32 177.47 8.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.988 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.548 HG22 ' CE2' ' A' ' 23' ' ' PHE . 10.5 p -135.84 37.14 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.626 ' OG1' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -124.14 172.8 8.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.707 HD22 ' HB2' ' A' ' 2' ' ' GLU . 6.9 t-20 -76.96 150.07 35.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.668 HD21 ' HB3' ' A' ' 2' ' ' GLU . 64.0 mt 21.07 47.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.626 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 1.9 p -81.99 -13.27 57.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.712 HD22 ' CB ' ' A' ' 37' ' ' LEU . 12.5 t30 -97.1 97.77 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.017 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.82 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tmm? . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.796 0.331 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.49 144.16 43.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -118.97 -175.57 2.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.995 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.803 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -124.4 102.67 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.924 ' HG2' HG22 ' A' ' 15' ' ' ILE . 5.8 ptt180 -95.48 171.93 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 t -119.53 115.7 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.13 -135.32 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.75 -13.75 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.358 . . . . 0.0 111.038 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.9 t -142.9 -16.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.41 153.8 17.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.382 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.68 28.09 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.803 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -131.99 47.93 2.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 4' ' ' TYR . 4.9 mp -99.54 131.36 45.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.012 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.825 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.57 105.75 17.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.924 HG22 ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -101.69 169.62 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.814 ' H ' HG12 ' A' ' 15' ' ' ILE . 3.9 m -115.82 116.38 27.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.15 112.08 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -48.2 165.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.736 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.83 -8.88 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.873 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.76 -45.53 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.8 127.53 51.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.43 1.4 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.725 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-85 -102.86 147.16 27.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -116.43 100.91 8.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.424 179.649 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.845 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -99.55 132.46 44.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.461 -179.498 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.913 ' HD3' ' HD2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -129.47 98.93 5.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.351 179.53 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.92 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 40.8 t90 -99.46 137.89 37.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.926 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.5 OUTLIER -123.82 130.13 52.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.054 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.926 ' N ' HD12 ' A' ' 28' ' ' LEU . 12.4 t-20 -109.53 92.49 4.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 25.1 mtpt -64.89 19.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.032 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.615 ' H ' ' C ' ' A' ' 29' ' ' ASN . 11.2 mm -118.7 -53.78 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -106.49 25.75 10.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' SER . 8.1 t-20 37.38 30.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.771 ' HG2' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -113.32 135.24 54.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.645 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.704 ' HG3' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -129.51 144.18 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.918 0.39 . . . . 0.0 111.225 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.845 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 7.4 m0 -101.99 88.3 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.635 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.704 HD13 ' HG3' ' A' ' 35' ' ' ARG . 7.2 mp -101.17 129.33 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.672 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 167.79 -176.54 42.42 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.428 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.638 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 1.7 m -99.51 140.83 33.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.868 0.365 . . . . 0.0 111.105 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.725 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.98 176.27 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.065 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.873 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -82.58 -58.11 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.9 p -104.51 -172.0 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.7 t -109.75 149.16 30.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.033 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.831 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -138.57 33.23 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.874 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -35.8 132.8 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.722 HG13 ' O ' ' A' ' 44' ' ' THR . 18.5 mt -135.01 78.28 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.72 80.5 3.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.3 p -99.8 -132.81 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.764 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.816 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 1.1 p-90 -102.04 -36.24 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.164 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.816 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 1.5 p30 -114.57 -29.29 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.418 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.78 HG13 ' CD1' ' A' ' 27' ' ' TRP . 4.2 t -99.5 140.37 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.931 0.396 . . . . 0.0 111.355 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.627 ' OH ' ' HE2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -140.17 97.48 3.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.995 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.874 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 60.2 t30 -107.87 131.93 53.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.476 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.913 ' HD2' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -134.86 128.54 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 111.378 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.22 149.71 23.72 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.49 160.64 38.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.965 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.3 p -119.46 10.46 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.428 ' HB ' ' H ' ' A' ' 59' ' ' ASN . 36.5 p -107.18 -161.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.719 ' O ' ' N ' ' A' ' 61' ' ' CYS . 18.8 t-20 -87.42 159.22 18.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.66 HD22 ' HD1' ' A' ' 4' ' ' TYR . 6.3 mt 13.27 51.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.719 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.9 OUTLIER -80.88 -3.87 52.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.775 ' OD1' ' HB3' ' A' ' 26' ' ' LYS . 1.4 t30 -117.19 70.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.631 ' OG1' ' CD2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.48 ' SD ' ' HA ' ' A' ' 22' ' ' THR . 3.1 ttt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.756 0.313 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.663 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 1.4 mt-10 -108.49 138.2 45.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -117.53 -171.99 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.716 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -122.96 105.04 9.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.824 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.773 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -101.25 164.68 11.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.861 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.8 t -111.93 114.22 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.714 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -68.65 -115.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.438 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 p -124.08 -31.21 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -127.82 1.63 6.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.426 ' O ' HD11 ' A' ' 13' ' ' LEU . . . -141.1 137.03 7.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.84 ' SG ' ' NH2' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -113.5 36.98 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.622 ' C ' ' HE1' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -138.7 50.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.774 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.718 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 3.8 mp -99.64 133.09 44.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.709 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -102.27 112.35 25.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.876 HG12 ' N ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -110.71 166.19 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.174 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.876 ' N ' HG12 ' A' ' 15' ' ' ILE . 94.3 m -120.59 111.45 17.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.724 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -72.8 -152.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.036 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -163.44 171.11 16.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -35.66 -46.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.266 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.07 -54.64 44.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.862 ' HB2' ' HB2' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -103.21 102.79 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.97 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.48 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 1.2 p -112.06 -4.05 14.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.831 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.5 m-85 -101.54 158.32 16.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.03 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 t -124.99 98.5 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.712 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 8.6 p90 -99.77 137.48 38.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.216 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.86 ' HG3' ' OD1' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -129.11 98.87 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.324 179.457 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.966 ' NE1' HG13 ' A' ' 51' ' ' VAL . 34.6 t90 -99.51 142.24 31.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.017 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.973 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -131.34 128.92 40.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.973 ' N ' HD12 ' A' ' 28' ' ' LEU . 21.9 t-20 -109.33 105.34 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.5 36.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.74 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.854 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 3.4 mm -129.11 -46.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.345 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.21 19.05 7.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.128 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.5 t30 54.46 24.45 5.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.497 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -93.78 122.98 36.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.84 ' NH2' ' SG ' ' A' ' 11' ' ' CYS . 23.7 mtm180 -126.45 142.26 51.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.717 ' CD2' ' CE3' ' A' ' 27' ' ' TRP . 10.2 m0 -104.76 87.08 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.719 ' CG ' HD21 ' A' ' 62' ' ' ASN . 5.5 mp -102.24 113.8 27.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.45 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . -178.93 -176.91 47.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.282 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.862 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.7 m -99.45 125.35 45.16 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.881 0.372 . . . . 0.0 110.984 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.817 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -118.08 164.87 14.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.196 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.973 ' HD2' ' H ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -73.97 -42.62 60.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.973 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 36.7 p -132.79 138.75 47.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.9 t -44.42 153.25 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.306 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.753 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -140.14 23.62 2.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.543 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.65 132.31 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.13 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.728 HG13 ' O ' ' A' ' 44' ' ' THR . 11.0 mt -136.09 90.84 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.12 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -99.46 102.11 13.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.0 p -126.64 -138.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.762 ' CH2' ' ND2' ' A' ' 50' ' ' ASN . 5.1 p-90 -97.01 -37.83 10.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.118 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.762 ' ND2' ' CH2' ' A' ' 49' ' ' TRP . 1.2 p-10 -121.35 -18.9 7.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.295 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.966 HG13 ' NE1' ' A' ' 27' ' ' TRP . 46.0 t -99.81 125.88 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.295 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.867 ' HE1' ' HD3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -133.72 100.52 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.708 ' ND2' HG22 ' A' ' 44' ' ' THR . 31.7 t30 -114.53 130.56 56.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.581 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.867 ' HD3' ' HE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -128.31 127.94 43.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.149 -179.687 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -99.64 149.14 23.6 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.589 ' SG ' HG23 ' A' ' 58' ' ' THR . 0.0 OUTLIER -144.04 160.92 40.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.661 ' OG1' ' O ' ' A' ' 57' ' ' THR . 0.3 OUTLIER -124.37 42.72 3.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.092 0.472 . . . . 0.0 110.854 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.724 ' OG1' ' HB3' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -130.79 176.18 8.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.587 ' O ' ' C ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -80.03 150.17 30.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.018 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.587 ' C ' ' O ' ' A' ' 59' ' ' ASN . 6.8 mt 20.07 60.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.724 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 30.5 p -99.64 -22.75 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.86 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 5.3 t30 -90.65 73.17 6.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.001 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.794 ' CG ' ' HA ' ' A' ' 59' ' ' ASN . 2.6 ttp . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.82 0.343 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.656 ' C ' HD23 ' A' ' 60' ' ' LEU . 43.6 mt-10 -105.61 161.38 14.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.62 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 19.9 m -138.96 -178.46 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.814 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -118.41 102.3 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.98 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -103.26 166.52 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 1.9 t -103.51 123.94 47.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.692 ' N ' HD13 ' A' ' 13' ' ' LEU . . . -71.05 -156.36 2.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.352 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.455 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 0.2 OUTLIER -83.1 -13.81 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.07 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -150.08 -4.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.443 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -125.36 163.56 19.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.622 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -132.61 34.4 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.952 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.59 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 4.3 m-70 -135.57 45.17 2.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.692 HD13 ' N ' ' A' ' 7' ' ' GLY . 2.9 mp -99.67 131.77 45.44 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -99.13 106.77 19.0 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.797 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.98 ' HB ' ' NE ' ' A' ' 5' ' ' ARG . 1.3 tt -99.83 171.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.931 ' N ' HG12 ' A' ' 15' ' ' ILE . 22.3 m -134.11 107.19 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.054 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.884 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -58.58 170.96 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.763 179.795 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 20' ' ' GLU . 16.7 m -117.46 163.82 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -35.29 -26.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.977 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -74.83 -48.53 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.75 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.884 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -107.29 122.1 45.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.595 ' O ' ' HE2' ' A' ' 1' ' ' MET . 6.5 p -126.15 -4.6 6.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.984 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.762 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 5.1 m-85 -99.93 161.12 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.39 99.18 7.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.771 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.683 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 1.2 p90 -100.61 140.22 35.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.419 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.703 ' HG3' ' OD1' ' A' ' 62' ' ' ASN . 3.5 ttpt -135.48 97.26 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.131 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.948 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 18.5 t90 -100.92 143.5 30.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.749 HD12 ' H ' ' A' ' 29' ' ' ASN . 1.8 tp -133.22 134.61 44.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.067 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.948 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 60.9 t-20 -113.88 112.26 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.752 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.839 ' HB3' ' HZ2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -76.35 10.42 2.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.949 HD11 HD21 ' A' ' 50' ' ' ASN . 25.6 mm -109.4 -55.37 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -104.56 24.07 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.677 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.2 OUTLIER 36.25 27.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.985 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.889 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 17.7 tt0 -99.2 136.47 39.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 138.04 50.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.999 0.428 . . . . 0.0 111.542 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.728 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 10.1 m0 -99.93 86.53 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.285 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 4' ' ' TYR . 5.5 mp -100.05 117.46 34.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.668 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 171.56 -166.3 39.3 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.064 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.649 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 17.9 m -103.01 150.51 23.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.008 0.433 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.762 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.53 151.67 44.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.088 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.52 ' HE2' ' H ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -66.38 -23.81 66.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.52 ' H ' ' HE2' ' A' ' 41' ' ' LYS . 10.2 p -138.89 -164.61 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.4 t -101.86 146.43 27.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 44' ' ' THR . 0.7 OUTLIER -134.14 29.78 3.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.901 ' HA ' HD22 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.6 133.53 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.951 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 7.5 mt -140.15 83.42 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.235 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.79 81.05 3.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.65 HG23 HG22 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -100.2 -139.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.765 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.828 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -93.59 -45.76 7.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.949 HD21 HD11 ' A' ' 31' ' ' ILE . 9.5 p30 -114.59 -11.72 12.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.743 ' CG1' ' HE1' ' A' ' 27' ' ' TRP . 12.4 t -102.78 139.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.526 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.572 ' HE2' ' NZ ' ' A' ' 26' ' ' LYS . 1.8 t80 -140.13 105.39 5.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.951 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -115.77 130.7 56.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.545 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -131.98 125.46 31.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.352 -179.669 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.563 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -100.06 151.11 21.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.851 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.38 172.72 12.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.46 7.62 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.831 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -113.68 148.54 36.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.794 ' HA ' ' CG ' ' A' ' 1' ' ' MET . 52.1 t30 -39.17 159.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.656 HD23 ' C ' ' A' ' 2' ' ' GLU . 39.1 mt 13.1 55.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.831 ' HB2' ' O ' ' A' ' 58' ' ' THR . 0.9 OUTLIER -81.45 -1.98 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.768 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.797 HD21 ' HG ' ' A' ' 37' ' ' LEU . 37.9 t30 -111.68 75.85 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.575 HG22 ' CG ' ' A' ' 4' ' ' TYR . 4.6 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.77 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.754 0.312 . . . . 0.0 111.255 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.618 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 43.4 mt-10 -99.78 132.56 45.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 28.0 m -108.82 -168.57 1.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.699 ' HD1' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -125.68 105.02 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.843 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.705 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.23 161.81 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.547 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.61 115.42 23.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.932 0.396 . . . . 0.0 111.101 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.8 34.84 2.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.385 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.711 HG12 ' N ' ' A' ' 9' ' ' SER . 0.6 OUTLIER 74.17 -58.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 111.119 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.711 ' N ' HG12 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -97.28 -9.6 27.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.99 125.29 3.35 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.394 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.8 38.61 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.952 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.07 38.43 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.297 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.705 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 2.8 mp -100.04 132.02 45.65 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.561 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -103.35 122.45 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 111.186 -179.637 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.703 HG12 ' N ' ' A' ' 16' ' ' THR . 0.1 OUTLIER -113.54 164.51 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.032 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.703 ' N ' HG12 ' A' ' 15' ' ' ILE . 51.3 m -125.72 107.29 10.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.992 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -99.49 106.31 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.699 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -139.45 128.19 23.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.037 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 85.64 -36.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -67.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.822 ' CB ' ' HB3' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -100.89 154.08 18.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.579 179.597 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -137.2 -13.98 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.175 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.724 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 10.0 m-85 -112.23 162.23 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.232 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.59 95.27 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.584 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.877 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 2.7 p90 -100.74 148.43 24.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.358 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.918 ' HE2' ' CE2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -139.07 99.66 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.536 179.613 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.918 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 33.5 t90 -100.21 146.14 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.052 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.173 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -133.67 131.85 40.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.016 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 1.173 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -105.0 118.53 36.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 1.01 ' HE2' ' HA ' ' A' ' 50' ' ' ASN . 21.8 mtmt -80.88 22.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -133.1 -62.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.294 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.599 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -92.6 21.78 5.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.505 ' OD1' ' O ' ' A' ' 33' ' ' ASN . 25.4 t-20 37.95 22.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.67 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 2.4 mt-10 -89.22 128.89 35.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.724 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 1.017 ' NH2' HD22 ' A' ' 28' ' ' LEU . 1.9 ptp180 -125.56 134.81 51.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.019 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.877 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 13.5 m0 -99.89 84.76 2.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.629 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 35' ' ' ARG . 7.7 mp -99.75 119.07 37.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.01 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.55 -166.95 39.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.822 ' HB3' ' CB ' ' A' ' 21' ' ' GLU . 34.3 m -100.51 150.05 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.957 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.564 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.76 167.15 22.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.01 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -32.86 23.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.725 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.56 144.75 44.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.708 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.3 t -61.74 148.25 43.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.808 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -139.99 25.85 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.836 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.76 139.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.934 HD12 ' CB ' ' A' ' 53' ' ' ASN . 1.9 mt -140.1 88.71 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.225 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -101.41 77.9 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.643 HG23 HG22 ' A' ' 46' ' ' ILE . 7.1 p -100.04 -124.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.739 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.897 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 2.7 p-90 -105.75 -49.14 3.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 1.01 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -109.27 -19.84 13.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.385 -179.491 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.739 HG13 ' CD1' ' A' ' 27' ' ' TRP . 5.2 t -99.85 132.07 46.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.901 0.381 . . . . 0.0 111.311 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.918 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 1.6 t80 -135.04 104.05 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.828 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.934 ' CB ' HD12 ' A' ' 46' ' ' ILE . 16.6 t-20 -116.94 135.23 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.684 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.762 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -136.5 127.14 27.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.285 -179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.85 153.34 19.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.09 164.52 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.029 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.54 HG22 ' HE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -124.9 4.11 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.5 178.41 4.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.621 ' O ' ' N ' ' A' ' 61' ' ' CYS . 1.4 t-20 -66.96 158.17 31.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.095 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.619 ' C ' ' O ' ' A' ' 59' ' ' ASN . 48.8 mt 13.99 54.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.322 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.621 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -80.82 -3.92 52.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.985 0.421 . . . . 0.0 110.505 179.619 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.484 ' C ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -106.55 97.57 7.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.779 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.703 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.857 0.361 . . . . 0.0 111.254 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 1.004 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -129.77 140.92 50.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 88.8 m -107.89 172.64 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.971 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -116.33 100.99 8.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.609 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.841 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.87 173.41 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.817 ' SG ' ' NH2' ' A' ' 35' ' ' ARG . 2.2 t -120.39 112.92 19.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.796 ' H ' HD11 ' A' ' 13' ' ' LEU . . . -68.54 -146.98 0.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.353 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 8' ' ' VAL . 2.5 p -79.15 -40.52 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.969 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 t -133.9 21.23 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -140.66 150.26 21.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.51 15.94 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.349 . . . . 0.0 110.969 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.727 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 49.0 m170 -117.2 50.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.841 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.1 mp -100.38 123.68 44.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.786 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -99.81 108.36 20.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.714 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.516 ' C ' ' HG2' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -115.52 146.59 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.242 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 1.004 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 5.1 m -90.28 125.76 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.744 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.626 ' SG ' ' SD ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -93.32 146.64 23.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.0 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.18 -177.26 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.26 -11.7 23.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.176 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -81.29 -50.04 10.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.531 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.11 101.45 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.566 ' C ' ' HE3' ' A' ' 1' ' ' MET . 5.4 p -107.7 2.87 24.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.679 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.632 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 3.5 m-85 -108.91 147.9 31.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.233 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.681 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 42.2 m -115.0 101.95 9.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.205 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.735 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 28.5 p90 -99.87 129.57 45.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.049 0.452 . . . . 0.0 111.713 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 1.0 ' HB3' ' HB2' ' A' ' 62' ' ' ASN . 4.0 ptmt -123.03 97.75 5.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.875 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.027 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 68.1 t90 -101.77 145.87 28.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.348 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.644 HD13 ' HG3' ' A' ' 35' ' ' ARG . 11.8 tp -138.82 128.71 25.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.811 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.955 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 15.4 t-20 -107.9 113.53 26.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.028 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.642 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -78.46 15.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.805 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.863 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 5.1 mm -103.89 -61.2 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.55 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 29.1 t -102.55 -15.86 16.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 32' ' ' SER . 40.8 t-20 87.98 16.73 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.64 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 4.7 tt0 -84.45 129.38 34.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.967 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -117.8 127.81 54.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.738 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 8.1 m0 -100.04 82.42 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.971 HD23 ' O ' ' A' ' 4' ' ' TYR . 6.4 mp -104.11 122.62 45.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 177.09 -172.72 45.64 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 3.2 m -99.3 137.92 37.12 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.856 0.36 . . . . 0.0 111.034 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.632 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.97 168.83 18.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.032 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -80.19 -50.67 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.64 -158.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 16.0 t -116.34 135.28 54.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.806 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -113.28 23.44 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.75 123.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.771 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.962 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 20.8 mt -133.46 81.27 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.252 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.57 89.88 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.816 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.59 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 1.9 p -109.28 -132.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.871 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 2.1 p-90 -98.74 -49.5 4.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.674 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.871 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -110.91 -13.8 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.139 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.744 HG13 ' NE1' ' A' ' 27' ' ' TRP . 14.6 t -102.35 139.34 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.369 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.552 ' HE1' ' HB2' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -140.17 106.14 5.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 1.027 ' ND2' ' HB2' ' A' ' 27' ' ' TRP . 22.4 t-20 -117.13 123.0 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.552 ' HB2' ' HE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -124.66 126.82 46.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.91 0.386 . . . . 0.0 111.51 -179.575 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 m -100.45 147.03 26.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.26 -177.96 5.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.1 p -140.16 2.57 1.91 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.322 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.831 HG23 ' SG ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -108.39 172.45 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.168 -179.818 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.658 ' O ' ' N ' ' A' ' 61' ' ' CYS . 3.8 t30 -58.34 155.52 11.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.623 ' C ' ' O ' ' A' ' 59' ' ' ASN . 1.2 mt 16.09 51.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.831 ' SG ' HG23 ' A' ' 58' ' ' THR . 0.6 OUTLIER -76.86 -28.5 55.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 1.0 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 19.9 p-10 -107.23 106.79 17.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.918 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.641 ' HG2' ' HA ' ' A' ' 59' ' ' ASN . 13.4 tmm? . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.82 0.343 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.462 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -105.84 143.2 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.98 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.83 -177.59 3.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.032 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.605 ' HE2' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -129.87 106.65 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.758 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.581 ' O ' HD13 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -100.79 177.87 4.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 45.1 t -133.51 109.07 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -75.29 -171.15 28.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.548 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 9' ' ' SER . 10.9 p -66.57 -40.23 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 111.278 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.441 ' N ' HG13 ' A' ' 8' ' ' VAL . 5.0 t -116.08 0.6 13.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.98 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.566 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -129.46 148.61 18.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.691 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -136.07 18.07 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.023 0.44 . . . . 0.0 110.617 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.58 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -136.02 48.63 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.388 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.982 HD12 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -98.85 128.15 44.97 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -179.45 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.73 122.45 42.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.992 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.689 HG13 ' N ' ' A' ' 16' ' ' THR . 0.3 OUTLIER -111.78 156.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.814 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.689 ' N ' HG13 ' A' ' 15' ' ' ILE . 4.4 m -112.3 104.61 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.041 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.068 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -75.94 137.25 40.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.744 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 20' ' ' GLU . 29.2 p -88.3 159.67 17.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.986 0.422 . . . . 0.0 110.987 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -29.88 -37.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -52.11 -50.75 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 1.068 ' HG3' ' HB3' ' A' ' 17' ' ' CYS . 3.7 pt-20 -114.44 138.59 50.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.11 -1.14 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.7 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-30 -99.8 153.94 18.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.849 ' SG ' ' HB3' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -118.28 103.34 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.741 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 2.8 p90 -99.86 132.02 45.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.025 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.604 ' HZ3' ' HA ' ' A' ' 62' ' ' ASN . 8.7 ttpt -132.86 99.69 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.729 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.053 ' HB2' HD21 ' A' ' 53' ' ' ASN . 29.6 t90 -101.43 144.8 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.879 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -133.08 133.65 43.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.938 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 10.8 t-20 -114.72 116.57 28.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.44 -2.99 41.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -105.85 -49.27 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.574 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 41.4 t -93.79 2.72 56.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 32' ' ' SER . 0.7 OUTLIER 48.44 14.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.929 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 1.1 tt0 -95.22 145.93 24.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.717 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.532 ' H ' ' HD2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -129.68 131.62 46.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.741 ' HB3' ' HE2' ' A' ' 25' ' ' TYR . 9.7 m0 -99.91 86.05 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.789 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 4' ' ' TYR . 9.6 mp -105.87 129.45 54.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.01 -168.0 41.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.63 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.565 ' HB2' ' OE2' ' A' ' 21' ' ' GLU . 4.9 m -99.28 141.82 31.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.7 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -138.5 153.9 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.227 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.862 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.88 -18.01 54.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.682 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.12 -170.57 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.634 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 29.1 t -101.91 145.72 28.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.054 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -134.45 30.55 3.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.796 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -45.6 128.03 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.864 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 8.1 mt -132.69 80.86 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.637 ' C ' ' OD1' ' A' ' 47' ' ' ASP . 2.3 t0 -93.49 100.22 12.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.7 p -120.57 -129.22 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.819 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -109.43 -39.07 5.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.687 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.819 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 1.2 p30 -114.27 -19.58 11.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.963 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.924 HG13 ' NE1' ' A' ' 27' ' ' TRP . 24.1 t -104.25 139.3 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.443 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -140.0 100.29 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 1.053 HD21 ' HB2' ' A' ' 27' ' ' TRP . 20.9 t-20 -112.39 125.74 54.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.41 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.844 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -127.4 128.65 46.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.552 -179.514 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.844 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -100.01 149.21 23.7 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.38 174.49 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -137.54 29.9 2.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.7 p -139.96 -177.79 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.039 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.705 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.4 OUTLIER -68.93 162.93 25.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 59' ' ' ASN . 18.2 mt 13.92 51.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.705 ' N ' ' O ' ' A' ' 59' ' ' ASN . 1.6 t -90.02 2.59 55.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.849 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 0.3 OUTLIER -121.28 32.92 5.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.968 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.873 ' SD ' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.762 0.315 . . . . 0.0 111.225 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 1.014 ' HG2' ' HA ' ' A' ' 16' ' ' THR . 8.6 mt-10 -99.98 142.3 31.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.735 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.7 m -123.52 168.19 12.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.055 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -101.13 92.15 4.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.609 179.791 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 1.095 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -89.97 170.54 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.713 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 3.3 t -112.9 135.62 53.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.751 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.537 ' H ' HD11 ' A' ' 13' ' ' LEU . . . -95.26 -133.23 7.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.554 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.578 ' CG1' ' N ' ' A' ' 9' ' ' SER . 2.0 p -86.61 -49.74 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.273 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.578 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 41.1 t -124.83 8.42 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.022 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.74 149.84 18.86 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.581 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -127.02 20.37 6.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.965 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.619 ' HA ' ' CD1' ' A' ' 4' ' ' TYR . 1.2 m170 -126.0 52.23 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.805 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.537 HD11 ' H ' ' A' ' 7' ' ' GLY . 3.3 mp -99.67 131.55 45.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.046 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.875 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -100.26 101.62 12.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 1.103 HD12 ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -106.84 135.6 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 1.014 ' HA ' ' HG2' ' A' ' 2' ' ' GLU . 48.3 m -96.11 114.14 25.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.103 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 3.6 m -116.95 137.24 52.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.52 ' C ' ' H ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -153.96 151.39 29.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 72.04 -31.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -108.17 -62.37 1.46 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.605 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 1.103 ' HG3' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -110.44 136.99 48.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.631 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 p -134.57 -8.6 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.165 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.784 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 2.8 m-85 -104.74 154.4 20.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.969 0.414 . . . . 0.0 111.233 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.733 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 60.8 m -110.67 95.91 5.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.145 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.943 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 10.1 p90 -99.8 137.78 37.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.031 0.443 . . . . 0.0 111.497 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.701 ' NZ ' ' CE2' ' A' ' 52' ' ' TYR . 2.7 ttpt -135.18 97.04 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.393 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.951 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 41.2 t90 -99.78 131.49 45.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.031 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.96 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -126.55 123.19 37.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.321 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.96 ' N ' HD12 ' A' ' 28' ' ' LEU . 45.4 t30 -107.39 110.18 22.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.78 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -70.83 -2.05 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.1 mm -100.7 -60.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.236 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.714 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.5 t -95.93 22.82 6.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 32' ' ' SER . 0.0 OUTLIER 35.47 19.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.04 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.718 ' HB3' ' CZ3' ' A' ' 27' ' ' TRP . 2.0 mt-10 -86.38 134.89 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.613 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.667 ' HG2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -133.77 128.76 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.946 0.403 . . . . 0.0 111.355 -179.659 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.943 ' HB3' ' HE2' ' A' ' 25' ' ' TYR . 7.9 m0 -102.06 87.72 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.47 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.095 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 2.7 mp -104.01 127.78 51.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.434 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 159.94 -164.4 34.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 1.035 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.25 132.52 44.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.767 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -131.58 160.88 34.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.253 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.592 ' HE2' ' HA ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -84.35 -53.07 5.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.684 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 p -104.26 135.27 46.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.705 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.1 t -64.64 134.35 54.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.727 HG23 ' OD1' ' A' ' 53' ' ' ASN . 1.8 t -119.18 34.87 5.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.678 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.94 128.43 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.971 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 68.2 mt -140.03 75.44 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 79.06 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.5 p -99.96 -137.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.755 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.82 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 1.2 p-90 -100.52 -35.83 9.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.82 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -113.19 -28.16 7.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.251 -179.812 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.752 HG13 ' CD1' ' A' ' 27' ' ' TRP . 40.8 t -99.77 142.81 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.701 ' CE2' ' NZ ' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -137.56 95.14 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.803 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.971 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -102.95 115.47 30.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.358 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.604 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -119.73 120.78 37.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 0.0 111.345 -179.561 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.24 142.29 31.92 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.0 173.28 11.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.857 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.73 0.52 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.572 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -103.26 161.79 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.873 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -50.6 153.96 1.49 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 59' ' ' ASN . 76.3 mt 15.49 47.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.732 ' N ' ' O ' ' A' ' 59' ' ' ASN . 2.7 t -70.02 -13.02 62.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.925 ' C ' HD21 ' A' ' 62' ' ' ASN . 0.0 OUTLIER -103.88 103.66 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.582 ' N ' HD21 ' A' ' 62' ' ' ASN . 33.5 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.708 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 4.6 ttp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.799 0.333 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.844 ' HG2' ' HA ' ' A' ' 16' ' ' THR . 38.7 mt-10 -115.49 150.26 36.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.68 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.7 m -111.63 178.47 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.632 ' CD2' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -120.63 108.16 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.577 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.975 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 8.4 ptt85 -106.74 166.57 10.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.16 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 t -118.44 106.79 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.655 ' H ' HD13 ' A' ' 13' ' ' LEU . . . -66.16 -158.79 0.61 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.572 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -91.57 -12.95 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.796 0.331 . . . . 0.0 111.178 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.38 -17.49 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.69 154.32 20.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.612 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.86 20.5 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.829 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.468 ' CA ' ' HE1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -133.14 48.46 2.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.678 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.655 HD13 ' H ' ' A' ' 7' ' ' GLY . 4.5 mp -99.66 122.71 43.07 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.985 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.956 ' HE2' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -99.49 114.43 27.39 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.568 ' O ' ' HG2' ' A' ' 2' ' ' GLU . 1.1 tt -107.48 156.96 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.844 ' HA ' ' HG2' ' A' ' 2' ' ' GLU . 58.7 m -99.05 132.37 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.962 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.708 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -97.81 142.28 29.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -83.31 166.81 18.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.73 -35.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -50.08 66.89 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.676 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 23.1 mt-10 -100.98 116.11 32.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.835 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 t -130.78 5.59 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.956 ' HE1' HG22 ' A' ' 57' ' ' THR . 1.2 m-85 -100.99 161.01 13.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.702 ' HB3' ' HB3' ' A' ' 62' ' ' ASN . 1.3 m -123.29 100.61 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.47 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.476 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -102.55 135.93 43.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 111.523 -179.406 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -127.69 97.02 4.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.207 179.395 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.864 ' NE1' HG13 ' A' ' 51' ' ' VAL . 50.4 t90 -101.78 143.04 32.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.144 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.971 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -135.34 134.4 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.957 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.971 ' N ' HD12 ' A' ' 28' ' ' LEU . 27.5 t-20 -112.19 112.91 24.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -83.64 17.7 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.557 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 7.6 mm -115.03 -39.75 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.532 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 2.5 t -111.94 -20.29 12.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 32' ' ' SER . 47.0 t30 85.73 15.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.667 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 4.4 tt0 -101.65 137.57 39.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 1.076 ' HG3' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -128.9 139.92 51.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.809 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 12.0 m0 -100.44 86.57 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.721 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.076 HD13 ' HG3' ' A' ' 35' ' ' ARG . 5.3 mp -104.74 127.29 52.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.467 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 166.51 -162.72 36.37 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.68 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 57.7 m -99.58 139.84 34.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.82 0.343 . . . . 0.0 110.816 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.829 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -137.73 146.87 44.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.078 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.778 ' HD2' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -70.64 -17.63 62.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.778 HG23 ' HD2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -138.61 -155.92 0.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.612 ' N ' ' OG1' ' A' ' 42' ' ' THR . 39.3 t -135.39 140.42 44.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.734 ' O ' HG23 ' A' ' 44' ' ' THR . 1.1 t -131.08 34.98 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.869 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -37.24 131.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 44' ' ' THR . 7.0 mt -137.83 90.22 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.35 101.51 12.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.0 p -127.42 -137.3 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.53 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.817 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -106.49 -21.63 13.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.79 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.817 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -123.55 -32.02 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.864 HG13 ' NE1' ' A' ' 27' ' ' TRP . 54.4 t -99.7 135.98 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -140.09 96.84 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.772 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.869 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 48.6 t30 -113.14 125.12 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.557 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.498 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -131.68 126.84 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 111.56 -179.676 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.69 151.81 21.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.786 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.606 ' SG ' ' OG1' ' A' ' 58' ' ' THR . 0.0 OUTLIER -150.08 159.4 44.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.046 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.956 HG22 ' HE1' ' A' ' 23' ' ' PHE . 4.1 p -115.07 51.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.035 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.859 ' O ' ' HB3' ' A' ' 61' ' ' CYS . 1.0 OUTLIER -139.58 132.96 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.729 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -40.23 153.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.956 HD11 ' HE2' ' A' ' 14' ' ' LYS . 77.9 mt 12.02 52.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.859 ' HB3' ' O ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -98.14 -21.87 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.702 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 1.7 p-10 -99.53 98.78 9.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.958 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.777 0.322 . . . . 0.0 111.165 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.958 ' N ' ' HG2' ' A' ' 1' ' ' MET . 9.0 mt-10 -103.74 156.06 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.041 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 59.7 m -123.42 -179.45 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.578 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.015 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -129.63 109.93 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.606 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.82 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 10.8 ptt180 -93.83 164.96 12.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -121.98 146.28 47.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.742 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.03 -159.72 12.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.576 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 p -88.22 -30.27 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.341 . . . . 0.0 111.163 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.08 0.09 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.26 123.29 1.97 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.582 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -114.49 37.91 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.495 ' C ' ' HE1' ' A' ' 4' ' ' TYR . 18.5 m80 -135.04 50.68 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.82 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.7 mp -99.7 129.09 45.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.692 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -103.59 113.29 26.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.885 HD11 ' SG ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -99.72 150.33 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.715 179.769 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.545 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -104.83 123.15 47.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.987 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.758 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -116.67 110.72 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.859 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.594 ' C ' ' H ' ' A' ' 20' ' ' GLU . 1.2 m -148.86 135.11 19.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 68.04 -29.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.594 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -101.29 -63.61 1.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.646 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.893 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -111.25 150.63 29.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.58 -10.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.721 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.532 ' CE1' HG22 ' A' ' 57' ' ' THR . 2.2 m-30 -110.43 163.45 13.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.076 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.552 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 5.9 m -125.69 97.58 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.303 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.765 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 4.2 p90 -100.69 127.33 47.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.475 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.908 ' HB3' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -126.72 104.96 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.287 179.456 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.947 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 42.2 t90 -99.54 145.14 27.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.057 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.835 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -130.83 120.2 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.947 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 12.8 t-20 -100.03 110.18 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.747 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -79.85 11.06 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 mm -114.38 -53.06 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.655 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 1.0 OUTLIER -98.1 -15.89 19.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.655 ' HB3' ' O ' ' A' ' 32' ' ' SER . 26.0 t30 78.77 12.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.825 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 37.4 tt0 -87.87 132.86 34.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.796 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.651 ' HD3' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -124.8 140.86 52.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.048 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.765 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 8.5 m0 -106.94 78.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.784 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.015 HD23 ' O ' ' A' ' 4' ' ' TYR . 1.2 mp -99.95 106.9 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.15 -167.06 32.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.893 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 3.6 m -99.44 138.11 36.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 111.035 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.08 176.16 8.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.515 ' HB2' ' HZ2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -93.88 -53.29 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.816 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.1 p -110.08 140.73 43.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.783 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.0 t -62.87 147.63 49.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.789 ' O ' HG13 ' A' ' 46' ' ' ILE . 3.4 t -132.92 30.27 4.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.829 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.91 132.02 1.3 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.839 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 54.2 mt -134.35 87.25 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.2 84.27 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.459 ' OG1' ' HB ' ' A' ' 51' ' ' VAL . 48.8 p -105.45 -140.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.626 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.826 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -100.49 -35.6 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.826 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 1.6 p30 -118.01 -22.81 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.095 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.699 HG13 ' NE1' ' A' ' 27' ' ' TRP . 3.0 t -100.46 138.63 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.16 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -140.03 102.58 4.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.234 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.839 HD21 ' HB2' ' A' ' 27' ' ' TRP . 21.0 t-20 -110.5 132.26 54.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.335 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.782 ' O ' ' HE2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -134.95 123.51 23.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.207 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.74 155.46 17.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.77 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -145.64 169.23 18.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.944 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.532 HG22 ' CE1' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -134.91 24.03 3.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.674 ' OG1' ' SG ' ' A' ' 61' ' ' CYS . 25.6 p -124.64 154.41 40.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.8 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.643 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 4.8 t-20 -34.03 132.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.786 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.585 ' CD2' ' O ' ' A' ' 3' ' ' CYS . 8.7 mt 21.57 45.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.674 ' SG ' ' OG1' ' A' ' 58' ' ' THR . 7.9 t -64.24 0.65 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.781 ' OD1' ' HB3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -121.91 81.54 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.791 ' HE2' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.81 0.338 . . . . 0.0 111.112 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.927 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.7 mp0 -107.26 159.74 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 33.4 m -125.38 -173.11 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.858 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -126.17 105.6 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.715 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -95.17 173.73 7.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 14.9 t -127.21 118.09 23.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -73.57 -176.85 33.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.652 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.459 ' O ' HG22 ' A' ' 8' ' ' VAL . 4.7 p -63.0 -12.85 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 111.224 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -148.22 -12.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.679 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -112.32 147.36 18.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -129.35 26.51 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.858 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 30.0 m-70 -135.22 49.06 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.665 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.715 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.2 mp -99.71 132.14 45.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.184 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -99.8 115.95 30.74 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.046 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.692 ' CG1' ' N ' ' A' ' 16' ' ' THR . 0.7 OUTLIER -111.37 167.15 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.894 0.378 . . . . 0.0 111.0 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.927 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 1.3 m -118.45 116.28 26.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.635 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -80.87 147.32 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -81.18 167.43 19.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.003 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.39 -28.79 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' OE2' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -67.89 -48.17 66.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.635 ' HG3' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -105.92 123.35 47.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.657 ' O ' ' HE3' ' A' ' 1' ' ' MET . 0.6 OUTLIER -129.57 8.66 5.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 3.5 m-85 -104.48 153.19 21.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.791 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 17.6 m -120.1 102.51 8.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.662 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.656 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 17.3 p90 -102.1 132.33 48.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.889 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -128.31 101.72 6.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.509 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.939 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 46.2 t90 -101.88 144.36 30.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.714 HD12 ' H ' ' A' ' 29' ' ' ASN . 2.3 tp -134.52 135.36 42.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.939 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -113.46 119.32 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -83.83 3.85 31.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.744 HG13 HD22 ' A' ' 50' ' ' ASN . 20.7 mm -107.71 -59.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.1 t -95.6 2.28 54.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 29' ' ' ASN . 39.6 t30 56.21 18.55 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.668 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 3.5 mt-10 -81.75 136.24 35.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.51 120.48 35.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.045 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.777 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 7.7 m0 -99.92 77.58 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 4' ' ' TYR . 7.4 mp -100.74 137.67 38.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.73 -171.54 38.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.624 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 66.7 m -99.41 142.17 31.24 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.813 0.34 . . . . 0.0 110.782 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.693 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.78 161.56 37.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.493 ' H ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -83.68 -14.7 51.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.013 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -139.42 -154.67 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.981 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.421 ' N ' ' OG1' ' A' ' 42' ' ' THR . 32.3 t -129.49 138.47 51.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.824 ' O ' HG13 ' A' ' 46' ' ' ILE . 3.2 t -127.33 28.76 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.682 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -33.84 136.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.016 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.824 HG13 ' O ' ' A' ' 44' ' ' THR . 6.4 mt -140.29 84.87 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.202 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.62 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 1.1 p-10 -96.64 82.64 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.661 HG23 HG22 ' A' ' 46' ' ' ILE . 3.3 p -105.57 -142.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.667 ' CD2' ' OD1' ' A' ' 50' ' ' ASN . 3.9 p-90 -97.33 -31.75 12.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.042 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.744 HD22 HG13 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -120.51 -23.46 6.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.131 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.881 HG13 ' NE1' ' A' ' 27' ' ' TRP . 18.9 t -99.52 138.21 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.161 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -140.25 98.72 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.682 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 9.6 t-20 -113.53 132.25 55.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.484 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.793 ' HE3' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -134.0 128.97 35.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.307 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.51 148.38 25.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.034 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -135.73 158.52 44.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.814 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.7 p -111.78 -3.46 14.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.058 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.789 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -103.44 146.2 28.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.882 ' ND2' HD12 ' A' ' 60' ' ' LEU . 7.0 t30 -43.94 156.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.772 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.882 HD12 ' ND2' ' A' ' 59' ' ' ASN . 1.1 mt 21.57 53.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.789 ' HB2' ' O ' ' A' ' 58' ' ' THR . 7.3 t -96.58 35.35 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.889 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -148.34 98.98 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.775 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.839 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.4 mt-10 -118.97 143.58 46.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.854 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.9 m -109.17 -179.28 3.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.668 ' HB3' ' O ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -124.16 106.01 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.792 ' HG2' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -98.93 161.56 13.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 6.4 t -107.99 120.34 42.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.921 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -88.25 177.36 45.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.543 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.666 HG13 ' H ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -48.29 -62.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 111.123 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.666 ' H ' HG13 ' A' ' 8' ' ' VAL . 43.9 t -110.19 25.42 11.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.581 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -149.27 155.39 26.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -138.63 20.34 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 110.823 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.411 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 87.7 m-70 -129.73 50.6 2.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 13' ' ' LEU . 3.0 mp -99.41 127.11 45.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.808 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.659 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.62 116.23 31.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 -179.67 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.792 ' CG2' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -112.21 139.82 34.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.799 179.786 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.839 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 99.3 m -92.69 105.66 17.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.694 ' SG ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -69.25 131.14 44.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.93 163.72 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.39 -22.25 4.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.79 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.573 ' OE2' ' CD ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -69.77 -52.58 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.629 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 3.6 pt-20 -106.76 121.63 44.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.824 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.715 ' O ' ' HE3' ' A' ' 1' ' ' MET . 10.1 p -129.97 24.23 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.747 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 13.7 m-85 -108.9 152.12 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.958 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.75 97.71 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.54 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -100.81 123.91 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.495 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.936 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -119.47 101.73 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.085 179.367 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.029 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 55.2 t90 -99.55 144.94 28.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.093 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.113 HD13 ' CG ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -132.72 130.01 39.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.942 ' N ' HD12 ' A' ' 28' ' ' LEU . 23.9 t-20 -109.48 99.87 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -70.48 29.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.688 HG13 HD21 ' A' ' 50' ' ' ASN . 0.8 OUTLIER -119.38 -69.69 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.878 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 5.3 t -90.01 -16.77 29.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.878 ' HB3' ' O ' ' A' ' 32' ' ' SER . 6.2 t30 88.29 23.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.963 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.896 ' HG3' ' HZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -103.7 138.62 40.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 1.113 ' CG ' HD13 ' A' ' 28' ' ' LEU . 1.9 mtt180 -127.72 141.59 51.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.095 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.778 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 9.5 m0 -99.93 81.7 2.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.717 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.834 ' HG ' HD21 ' A' ' 62' ' ' ASN . 9.0 mp -99.9 122.59 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.54 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 174.8 -167.36 39.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.549 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.854 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 67.1 m -99.48 142.0 31.52 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.795 0.331 . . . . 0.0 110.819 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.747 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.04 162.09 36.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.573 ' CD ' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -77.64 -37.44 50.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.685 179.792 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -126.27 -175.15 3.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.601 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 27.0 t -100.35 143.7 30.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.73 ' O ' HG23 ' A' ' 44' ' ' THR . 1.4 t -131.55 37.78 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.645 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.794 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -44.93 132.74 6.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.931 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 67.5 mt -138.64 75.55 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.8 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.15 86.32 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.206 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 22.0 p -105.45 -127.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.628 ' CE3' ' OD1' ' A' ' 50' ' ' ASN . 2.3 p-90 -106.59 -44.82 4.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.574 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.688 HD21 HG13 ' A' ' 31' ' ' ILE . 19.0 p-10 -108.18 -21.91 12.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.829 HG13 ' HE1' ' A' ' 27' ' ' TRP . 64.9 t -100.02 141.06 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.389 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.439 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t80 -140.31 101.77 4.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 1.029 ' ND2' ' HB2' ' A' ' 27' ' ' TRP . 9.4 t-20 -112.96 123.1 49.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.389 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HD2' ' HE2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -129.23 124.06 33.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 111.472 -179.516 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.81 152.45 20.11 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.7 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.1 149.02 45.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.49 21.11 17.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.541 ' O ' ' HG3' ' A' ' 1' ' ' MET . 58.3 p -114.08 -153.11 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.734 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -100.07 158.5 15.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.592 ' C ' ' O ' ' A' ' 59' ' ' ASN . 12.3 mt 18.0 43.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.734 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -79.52 24.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.774 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.936 ' HA ' ' HD2' ' A' ' 26' ' ' LYS . 62.0 t-20 -137.43 49.72 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.91 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.859 ' HE1' ' SG ' ' A' ' 24' ' ' CYS . 14.7 tmm? . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.832 0.348 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.759 ' O ' ' SD ' ' A' ' 1' ' ' MET . 3.4 mp0 -109.78 132.75 53.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.5 m -105.33 -179.2 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.956 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.843 ' CE1' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -129.27 109.28 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.755 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.839 ' HE ' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -112.84 163.57 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 -179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 5.0 t -101.99 121.74 42.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.637 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.739 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -79.02 -159.12 14.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.666 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 9' ' ' SER . 3.8 p -62.74 -53.47 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.214 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.557 ' N ' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -120.63 -4.13 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -113.22 152.72 17.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -126.89 13.59 7.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.896 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -121.24 51.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.042 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.739 ' CD1' ' H ' ' A' ' 7' ' ' GLY . 4.6 mp -99.44 124.24 44.41 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.738 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.61 109.74 22.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.937 HG13 ' N ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -100.15 158.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.937 ' N ' HG13 ' A' ' 15' ' ' ILE . 16.0 m -111.62 122.08 46.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.836 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -88.98 155.75 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.612 ' HB2' ' HG3' ' A' ' 20' ' ' GLU . 2.5 m -101.9 157.77 16.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -27.39 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.612 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.0 OUTLIER -62.75 -53.18 58.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.836 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -104.29 121.3 43.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.449 ' O ' ' HE2' ' A' ' 1' ' ' MET . 13.6 t -135.04 0.68 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-30 -101.11 156.45 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.859 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 17.9 m -116.08 103.01 10.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.707 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.787 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 1.2 p90 -99.87 125.06 45.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.025 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.631 ' HD2' ' HB2' ' A' ' 62' ' ' ASN . 3.8 ptmt -124.52 97.67 5.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.938 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 21.4 t90 -104.82 147.19 27.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.721 HD13 ' CZ ' ' A' ' 35' ' ' ARG . 26.2 tp -135.72 138.54 42.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.066 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.938 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 9.2 t-20 -115.91 109.39 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -80.96 23.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -128.95 -36.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.293 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.798 ' HB3' ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -116.6 -7.23 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.1 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 72.3 10.99 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.817 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.876 ' HB3' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.05 149.26 43.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.663 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.721 ' CZ ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -139.76 116.98 11.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.866 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.853 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 8.4 m0 -99.6 72.02 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.755 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.635 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 7.4 mp -106.21 129.43 54.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.811 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.09 -158.68 31.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 74.4 m -99.67 138.24 37.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.953 0.406 . . . . 0.0 111.005 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.65 156.38 46.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.035 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.636 ' HE2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -81.31 -35.52 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -174.49 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.743 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 t -111.72 138.47 48.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.634 HG23 ' OD1' ' A' ' 53' ' ' ASN . 5.7 t -129.7 31.98 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.831 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.11 128.13 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.701 ' H ' ' HB3' ' A' ' 53' ' ' ASN . 7.1 mt -132.66 86.62 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -100.69 84.01 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.392 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.0 p -100.07 -132.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.8 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -109.16 -30.05 8.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 0.0 110.756 179.656 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.8 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 3.3 p30 -116.22 -27.26 6.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.029 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.809 HG13 ' CD1' ' A' ' 27' ' ' TRP . 2.2 t -103.57 140.06 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.447 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.53 ' OH ' ' HE2' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -140.16 105.35 5.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.237 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.831 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 9.7 t-20 -117.88 125.89 51.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.479 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.628 ' HD2' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -126.28 130.05 50.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.403 -179.493 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.74 143.64 29.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.661 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.21 171.19 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.459 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -136.05 22.72 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 1.017 HG23 ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -126.61 164.37 21.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.916 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.679 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -52.56 148.19 7.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.843 HD22 ' CE1' ' A' ' 4' ' ' TYR . 3.9 mt 18.3 47.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.721 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 1.017 ' SG ' HG23 ' A' ' 58' ' ' THR . 2.9 t -65.52 -22.36 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.202 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.742 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 20.0 p-10 -124.8 133.87 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.915 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.913 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.859 0.361 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.708 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -101.51 152.38 20.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.049 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.495 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 17.7 m -114.42 -172.31 2.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.767 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.902 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -127.05 101.44 6.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.867 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -95.89 168.22 10.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.787 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 10' ' ' GLY . 3.9 t -114.14 123.22 49.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.14 -129.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.27 -17.47 6.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 111.184 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -131.52 -0.28 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -147.09 170.88 27.91 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.491 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.507 ' O ' ' OXT' ' A' ' 63' ' ' THR . 0.0 OUTLIER -136.86 36.08 2.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.73 0.3 . . . . 0.0 110.877 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.635 ' C ' ' HE1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -133.72 52.71 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.759 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.753 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -99.42 127.64 45.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.643 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.725 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -100.41 112.17 24.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.907 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.867 ' CG2' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -112.24 163.16 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.276 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.801 ' O ' HD11 ' A' ' 15' ' ' ILE . 1.5 m -101.82 132.35 47.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.621 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 1.8 m -107.35 110.36 22.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.989 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.8 t -56.35 167.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.13 -22.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -49.46 45.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.815 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -107.15 115.99 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.536 ' O ' ' CE ' ' A' ' 1' ' ' MET . 0.4 OUTLIER -125.16 -4.76 7.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.802 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.696 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.9 m-85 -101.86 148.34 25.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.407 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 89.8 m -112.93 101.55 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 8.0 p90 -100.48 116.92 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.759 ' HG2' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -115.9 102.29 9.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.026 ' HB2' HD21 ' A' ' 53' ' ' ASN . 28.0 t90 -100.28 137.14 39.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tp -125.12 131.71 53.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 111.073 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.936 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 3.1 t-20 -112.08 115.61 29.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.984 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 1.76 29.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -103.52 -46.32 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.22 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -110.28 6.66 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.439 ' OD1' ' NH1' ' A' ' 35' ' ' ARG . 17.8 t-20 51.77 19.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.584 ' C ' ' HD3' ' A' ' 35' ' ' ARG . 3.5 tt0 -90.4 136.21 33.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.725 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.858 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -124.95 127.54 47.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 -179.7 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.727 ' CE3' ' CD2' ' A' ' 27' ' ' TRP . 12.8 m0 -101.6 85.11 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.655 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.902 HD23 ' O ' ' A' ' 4' ' ' TYR . 7.4 mp -105.72 114.78 29.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.991 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . -164.35 -178.1 37.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.366 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.815 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 4.0 m -99.32 130.28 45.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.884 0.373 . . . . 0.0 110.972 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.67 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -132.59 168.01 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.873 ' HZ2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -79.78 -40.15 29.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.757 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.471 ' HB ' ' H ' ' A' ' 43' ' ' CYS . 2.1 p -111.75 -154.81 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.839 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 4.4 t -117.96 145.27 44.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.725 HG23 ' OD1' ' A' ' 53' ' ' ASN . 6.8 t -125.77 30.01 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.77 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -46.57 130.64 11.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.702 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 9.2 mt -136.89 84.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.99 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -94.87 91.82 6.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.461 ' OG1' ' HB ' ' A' ' 51' ' ' VAL . 49.2 p -112.37 -133.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.495 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.814 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -104.82 -40.35 5.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.734 179.685 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.814 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 3.2 p30 -112.87 -22.14 10.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.809 HG13 ' CD1' ' A' ' 27' ' ' TRP . 13.6 t -100.68 136.33 32.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.578 ' HE2' ' HE2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -139.97 99.14 3.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 1.026 HD21 ' HB2' ' A' ' 27' ' ' TRP . 24.0 t-20 -110.6 129.71 55.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HD2' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -126.91 126.59 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.526 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.6 m -99.92 143.68 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.112 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.32 172.74 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.571 HG22 ' CE2' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -140.03 14.94 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.129 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.643 ' O ' ' SD ' ' A' ' 1' ' ' MET . 41.0 p -108.02 -151.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.913 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 27.0 t30 -99.01 147.61 24.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.997 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 59' ' ' ASN . 1.2 mt 17.35 46.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.696 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.6 OUTLIER -78.55 4.17 14.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.678 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.759 ' OD1' ' HG2' ' A' ' 26' ' ' LYS . 1.2 m-20 -99.9 -157.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.999 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.669 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.666 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.675 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 18.9 mp0 -121.15 164.91 16.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.692 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.8 m -135.32 -169.56 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.907 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -131.27 109.84 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 1.01 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.75 167.79 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 2.9 t -114.74 135.36 54.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.64 -170.1 16.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.54 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 8' ' ' VAL . 0.2 OUTLIER -54.06 -72.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 0.0 111.103 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' A' ' 9' ' ' SER . 2.8 t -111.15 16.34 21.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.593 ' O ' HD11 ' A' ' 13' ' ' LEU . . . -140.95 109.92 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.441 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 1.8 t -104.36 25.1 10.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.907 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 9.2 m80 -121.6 50.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.01 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.1 mp -99.85 138.84 36.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.629 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -102.67 115.95 31.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.603 HG13 ' N ' ' A' ' 16' ' ' THR . 0.1 OUTLIER -101.57 157.58 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.02 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.675 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 62.1 m -112.44 107.55 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.64 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -108.75 119.76 40.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.021 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.735 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -165.0 118.69 1.26 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.795 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 94.93 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.553 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -100.94 -64.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.453 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.931 ' HB2' ' HB2' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -107.44 139.0 42.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 179.51 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.77 -6.58 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.094 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.881 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.0 m-30 -104.76 152.49 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.29 95.49 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.414 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.698 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -99.52 135.1 41.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 0.0 111.27 -179.457 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.841 ' HD2' ' CB ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -131.24 98.69 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.575 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.924 ' HB3' ' HB2' ' A' ' 36' ' ' TRP . 41.9 t90 -99.78 145.23 27.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.125 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.028 HD12 ' HG2' ' A' ' 35' ' ' ARG . 17.3 tp -131.96 128.26 38.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.068 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.895 HD21 ' HZ2' ' A' ' 27' ' ' TRP . 9.0 t-20 -106.28 108.4 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.687 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 50' ' ' ASN . 7.2 mtpt -74.82 15.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.2 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.782 HG12 ' OD1' ' A' ' 50' ' ' ASN . 41.0 mm -119.51 -51.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.46 8.44 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.733 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.586 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 2.1 t30 55.38 11.88 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.786 ' HB3' ' CZ3' ' A' ' 27' ' ' TRP . 2.3 tt0 -70.41 126.1 28.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 1.028 ' HG2' HD12 ' A' ' 28' ' ' LEU . 51.4 mtt180 -119.13 126.35 51.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.28 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.924 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 6.1 m0 -99.93 80.87 2.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.949 HD23 HD21 ' A' ' 62' ' ' ASN . 4.1 mp -103.53 125.01 49.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.005 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.698 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 166.97 -175.28 42.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.496 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.931 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.29 124.61 44.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.807 0.337 . . . . 0.0 110.988 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -119.36 172.75 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.553 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -68.77 -58.26 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.73 -157.23 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.766 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.5 t -108.07 148.29 30.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.772 ' O ' HG23 ' A' ' 44' ' ' THR . 1.3 t -139.04 39.84 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.824 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -46.65 136.27 7.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.717 HG21 HG11 ' A' ' 51' ' ' VAL . 20.6 mt -139.04 90.57 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.19 80.8 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.555 HG23 HG22 ' A' ' 46' ' ' ILE . 16.1 p -101.31 -136.17 0.32 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.479 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.61 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -97.6 -46.15 6.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.895 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.782 ' OD1' HG12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -113.42 -18.42 12.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.365 -179.555 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.878 HG13 ' NE1' ' A' ' 27' ' ' TRP . 4.4 t -100.21 127.66 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.763 0.316 . . . . 0.0 111.165 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.49 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 4.5 t80 -132.44 103.81 6.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.87 HD21 ' HB2' ' A' ' 27' ' ' TRP . 17.5 t-20 -111.65 128.9 56.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.27 126.37 38.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.27 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.66 150.57 22.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.25 172.74 12.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -140.0 24.23 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -126.59 158.1 37.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.593 ' O ' ' C ' ' A' ' 60' ' ' LEU . 47.9 t30 -41.93 142.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.593 ' C ' ' O ' ' A' ' 59' ' ' ASN . 38.3 mt 19.57 61.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.939 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 58' ' ' THR . 1.9 t -85.78 8.2 20.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.884 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.949 HD21 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -133.31 106.37 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.966 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.754 ' SD ' ' O ' ' A' ' 58' ' ' THR . 33.2 ttp . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.7 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 2.2 tt0 -124.01 128.3 49.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 72.2 m -103.62 -177.88 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.868 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -123.84 105.9 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.141 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.858 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 2.7 ptt180 -98.19 163.25 12.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.679 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.575 ' SG ' ' NH1' ' A' ' 35' ' ' ARG . 5.4 t -107.4 115.48 30.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.904 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.758 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -68.21 -154.79 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.508 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.47 -29.21 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.332 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 t -128.36 7.78 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.42 165.12 27.56 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.579 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -134.75 25.53 3.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.743 0.306 . . . . 0.0 110.79 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.868 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 91.0 m-70 -130.47 50.26 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.168 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.758 ' CD1' ' H ' ' A' ' 7' ' ' GLY . 1.8 mp -99.71 127.89 45.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HG3' ' HG2' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -99.59 118.26 35.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.778 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.858 ' HB ' ' NE ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -120.81 148.42 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.249 -179.787 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.453 ' N ' HG12 ' A' ' 15' ' ' ILE . 17.7 m -95.76 132.14 41.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.6 m -82.11 156.15 24.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.3 m -86.62 169.74 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.52 -17.48 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -38.75 16.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.463 ' H ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -107.65 126.08 52.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.597 ' O ' ' HE2' ' A' ' 1' ' ' MET . 81.3 p -134.44 8.1 3.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.451 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.521 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 6.9 m-85 -106.6 154.23 21.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.026 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.613 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 48.5 m -117.31 101.32 8.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.304 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.613 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -103.45 133.38 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.426 . . . . 0.0 111.609 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -127.12 100.73 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.144 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.147 ' HB2' HD21 ' A' ' 53' ' ' ASN . 60.1 t90 -99.79 142.76 30.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.266 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.009 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -135.53 129.98 33.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.773 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 1.009 ' N ' HD12 ' A' ' 28' ' ' LEU . 22.9 t-20 -108.93 119.47 39.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.018 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -76.73 -10.36 59.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.848 HD12 ' N ' ' A' ' 31' ' ' ILE . 1.1 mp -100.54 -50.02 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.981 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.733 ' O ' ' N ' ' A' ' 34' ' ' GLU . 40.5 t -98.08 11.85 36.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.694 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.479 ' HA ' ' O ' ' A' ' 29' ' ' ASN . 6.9 t30 37.51 15.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.052 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.733 ' N ' ' O ' ' A' ' 32' ' ' SER . 1.5 tp10 -85.99 136.41 33.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.575 ' NH1' ' SG ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -122.25 126.18 47.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.191 -179.788 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.722 ' CE3' ' CD2' ' A' ' 27' ' ' TRP . 13.8 m0 -99.84 84.17 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.671 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 11.2 mp -101.46 125.63 48.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.613 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 172.66 -168.41 41.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.623 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 77.4 m -99.46 142.71 30.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.819 0.343 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.26 161.06 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.865 ' HE3' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -79.45 -27.07 41.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.585 HG23 ' NZ ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -134.5 -176.3 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.57 179.811 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.482 ' N ' ' OG1' ' A' ' 42' ' ' THR . 26.7 t -102.49 149.69 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.973 0.416 . . . . 0.0 111.139 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.813 ' O ' HG13 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -134.75 37.2 3.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.617 179.78 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.07 130.68 4.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.071 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.956 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 14.2 mt -140.25 76.91 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.069 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 7.7 p-10 -93.83 90.02 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.1 p -108.51 -134.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.821 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -103.41 -31.27 10.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.821 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -120.57 -26.88 5.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.248 -179.647 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 46' ' ' ILE . 3.4 t -99.63 143.93 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.362 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -140.3 106.39 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.264 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 1.147 HD21 ' HB2' ' A' ' 27' ' ' TRP . 7.0 t-20 -113.02 122.41 47.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.243 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.654 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -130.21 124.26 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.995 0.426 . . . . 0.0 111.824 -179.301 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.654 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -105.61 151.34 24.48 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.624 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.94 146.18 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 111.142 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -101.09 9.25 42.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.754 ' O ' ' SD ' ' A' ' 1' ' ' MET . 1.5 p -107.68 -179.26 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.812 ' OD1' HD12 ' A' ' 60' ' ' LEU . 20.7 t-20 -70.87 151.22 44.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.812 HD12 ' OD1' ' A' ' 59' ' ' ASN . 0.7 OUTLIER 12.51 50.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.314 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.734 ' N ' ' O ' ' A' ' 59' ' ' ASN . 39.0 t -73.1 7.78 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 0.0 110.646 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.487 ' OD1' ' C ' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -125.13 119.61 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.81 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.774 ' HE2' ' C ' ' A' ' 22' ' ' THR . 1.3 ttp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -122.81 144.39 49.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.552 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 1.8 m -113.89 -175.57 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.723 ' OH ' ' ND1' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -126.63 106.9 9.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.779 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.94 154.68 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.52 114.59 28.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.595 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -68.91 -133.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.583 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.85 -36.11 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.845 0.355 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -126.54 2.87 6.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.79 144.59 16.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.602 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.2 38.32 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.776 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.723 ' ND1' ' OH ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -139.54 49.3 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.765 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.779 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.6 mp -99.56 131.88 45.27 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.65 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.79 117.1 33.39 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.732 ' CG2' ' HD3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -114.3 154.58 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.644 ' N ' HG12 ' A' ' 15' ' ' ILE . 30.0 m -102.06 114.77 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.557 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 1.9 m -89.39 120.79 31.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -175.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.38 -10.33 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.088 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -49.35 15.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -105.09 128.28 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.774 ' C ' ' HE2' ' A' ' 1' ' ' MET . 0.1 OUTLIER -131.9 -7.91 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.153 -179.711 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.695 ' CE1' HG22 ' A' ' 57' ' ' THR . 3.6 m-30 -100.39 147.04 26.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.962 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.647 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . 6.3 m -113.21 103.98 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.764 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.7 OUTLIER -100.42 125.26 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 1.006 ' HB2' ' HB2' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -123.55 101.65 7.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.045 ' HB2' HD21 ' A' ' 53' ' ' ASN . 63.2 t90 -100.0 139.4 35.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.01 HD13 ' HD2' ' A' ' 35' ' ' ARG . 2.0 tp -130.36 127.62 39.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.883 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.914 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 8.4 t-20 -105.22 115.66 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.3 mtpt -87.77 19.91 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.523 ' HB ' HD21 ' A' ' 29' ' ' ASN . 17.4 mm -113.1 -44.32 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.223 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.611 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 11.0 t -117.52 -21.44 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.611 ' CB ' ' O ' ' A' ' 32' ' ' SER . 30.3 t-20 93.07 18.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.674 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -88.14 131.3 34.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.827 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 1.01 ' HD2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -122.66 134.53 54.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.99 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.764 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 10.6 m0 -108.14 84.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.681 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.88 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 11.0 mp -103.81 130.99 51.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.003 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.48 -173.81 46.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 1.7 m -99.35 135.14 41.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 111.055 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.667 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -136.37 171.25 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.022 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.465 ' H ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -86.95 -41.48 13.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -113.64 -158.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.5 ' N ' ' OG1' ' A' ' 42' ' ' THR . 31.8 t -118.84 151.04 38.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.78 ' O ' HG13 ' A' ' 46' ' ' ILE . 2.8 t -135.37 24.86 3.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.686 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.777 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.83 132.42 0.33 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.78 HG13 ' O ' ' A' ' 44' ' ' THR . 5.8 mt -138.9 74.63 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.428 ' OD2' ' OE2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -92.92 104.68 16.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.328 -179.697 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 p -126.23 -127.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.318 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.641 ' CE3' ' OD1' ' A' ' 50' ' ' ASN . 0.4 OUTLIER -111.52 -26.41 9.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.705 179.78 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.641 ' OD1' ' CE3' ' A' ' 49' ' ' TRP . 5.8 p-10 -124.25 -30.64 3.41 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.844 HG13 ' HE1' ' A' ' 27' ' ' TRP . 34.1 t -102.79 123.33 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.156 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.571 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -127.27 104.25 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.225 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 1.045 HD21 ' HB2' ' A' ' 27' ' ' TRP . 17.4 t-20 -112.44 132.92 54.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.241 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.776 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.5 OUTLIER -134.13 125.08 27.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.39 . . . . 0.0 111.783 -179.349 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.776 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -100.48 149.95 23.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.44 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.02 170.48 15.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.882 0.372 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.695 HG22 ' CE1' ' A' ' 23' ' ' PHE . 1.5 p -138.16 21.98 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.831 HG23 ' H ' ' A' ' 59' ' ' ASN . 13.5 t -110.18 -127.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.831 ' H ' HG23 ' A' ' 58' ' ' THR . 6.5 t-20 -118.96 136.32 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.708 ' O ' HG22 ' A' ' 63' ' ' THR . 57.9 mt 20.24 41.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.034 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.737 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.4 OUTLIER -64.84 -30.81 71.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.73 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 1.006 ' HB2' ' HB2' ' A' ' 26' ' ' LYS . 21.7 p-10 -97.32 76.99 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.444 ' HG2' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.741 0.305 . . . . 0.0 111.187 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.552 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -100.1 141.18 33.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.0 m -114.27 -179.01 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.783 ' HB2' ' O ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -114.56 101.97 9.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.619 179.825 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.923 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -101.49 -169.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 -179.746 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.676 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 2.4 t -123.28 119.64 30.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.07 -145.35 1.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.748 HG13 ' N ' ' A' ' 9' ' ' SER . 9.1 p -73.73 -57.37 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.748 ' N ' HG13 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -118.38 5.59 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -120.15 169.14 13.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.409 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.676 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -139.54 4.71 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 111.223 -179.824 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.451 ' C ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -111.81 48.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.998 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.923 ' HB2' ' HD3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -99.49 129.73 45.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.831 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.828 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -99.57 106.81 18.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.014 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.573 HG12 ' N ' ' A' ' 16' ' ' THR . 2.6 tt -101.87 161.34 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.573 ' N ' HG12 ' A' ' 15' ' ' ILE . 1.8 m -111.96 117.79 33.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.544 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -118.58 137.76 53.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.735 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -166.98 137.9 3.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.126 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 95.26 -41.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.043 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.758 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -110.39 -59.7 1.91 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.838 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.36 141.42 35.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.798 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.07 -12.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 7.8 m-85 -105.18 143.79 32.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.0 m -106.76 97.42 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.712 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -99.66 133.93 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.317 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.894 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 1.2 ptmt -132.15 104.6 6.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.726 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.978 ' NE1' HG13 ' A' ' 51' ' ' VAL . 16.6 t90 -99.68 140.96 33.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.757 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.511 HD12 ' H ' ' A' ' 29' ' ' ASN . 19.9 tp -128.54 134.72 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.366 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.932 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 49.5 t30 -112.84 116.8 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.831 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' HB3' ' HE2' ' A' ' 30' ' ' LYS . 14.6 mtpt -86.43 13.79 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.062 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mm -117.61 -34.88 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.473 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.753 ' HB2' ' ND2' ' A' ' 29' ' ' ASN . 0.6 OUTLIER -122.54 -3.67 8.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.8 t30 67.22 16.68 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.758 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.734 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 0.1 OUTLIER -81.69 129.8 34.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.517 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 13.9 mtm180 -122.84 120.37 33.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.773 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 11.6 m0 -99.82 83.79 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.853 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 10.9 mp -104.83 135.66 45.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.29 -175.13 44.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.429 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.838 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.38 124.53 44.58 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.977 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.86 170.75 9.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.758 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -85.44 -31.67 22.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.736 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.13 -163.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.694 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.1 t -122.37 136.76 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.781 ' O ' HG23 ' A' ' 44' ' ' THR . 0.9 OUTLIER -126.98 37.77 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.883 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -37.03 136.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.916 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 4.8 mt -136.11 78.33 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.058 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.55 79.89 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.024 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' HB ' ' A' ' 51' ' ' VAL . 9.0 p -105.85 -134.69 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.697 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.785 ' CH2' ' ND2' ' A' ' 50' ' ' ASN . 1.0 OUTLIER -101.96 -42.29 6.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.711 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.785 ' ND2' ' CH2' ' A' ' 49' ' ' TRP . 2.6 p30 -109.62 -24.22 11.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.978 HG13 ' NE1' ' A' ' 27' ' ' TRP . 99.0 t -99.66 138.35 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.051 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' O ' ' CG ' ' A' ' 52' ' ' TYR . 4.5 t80 -139.47 94.17 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.916 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 7.7 t-20 -103.95 125.96 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.618 ' HD3' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -131.92 122.35 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.281 -179.615 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.618 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 1.8 m -99.86 147.2 25.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.807 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -133.95 156.01 48.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.0 p -121.48 12.78 10.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.586 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -120.99 145.22 47.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.608 ' O ' ' C ' ' A' ' 60' ' ' LEU . 12.6 t30 -37.7 149.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.696 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.795 HD11 ' HE2' ' A' ' 14' ' ' LYS . 61.0 mt 18.19 56.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.763 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.586 ' HB2' ' O ' ' A' ' 58' ' ' THR . 43.6 t -92.3 -22.4 19.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.903 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.894 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 1.8 p-10 -102.92 117.25 34.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.718 HG23 ' OXT' ' A' ' 63' ' ' THR . 13.9 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.758 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.862 0.363 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.659 ' CD ' ' HB2' ' A' ' 14' ' ' LYS . 32.9 tt0 -107.68 140.45 40.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.771 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 m -116.59 170.09 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.976 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -110.17 99.02 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.931 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -101.43 -161.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.616 ' C ' HD13 ' A' ' 13' ' ' LEU . 1.8 t -126.67 159.4 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.486 ' N ' HD13 ' A' ' 13' ' ' LEU . . . -113.77 -106.56 2.73 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.441 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -130.06 -35.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -122.6 -13.63 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.77 148.8 18.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.332 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.45 41.29 2.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.372 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -139.23 52.17 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.616 HD13 ' C ' ' A' ' 6' ' ' CYS . 4.6 mp -99.41 127.24 45.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HB2' ' CD ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -98.91 102.21 13.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.058 -179.5 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.585 HG22 ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -110.89 121.08 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 2' ' ' GLU . 3.4 m -89.82 125.58 35.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.758 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -47.65 169.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.518 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -92.83 39.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 72.34 -25.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.202 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -66.79 -48.43 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.61 ' HB3' ' C ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -102.01 155.01 18.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.71 ' C ' ' HE2' ' A' ' 1' ' ' MET . 65.8 p -138.63 3.56 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.563 ' CD2' ' O ' ' A' ' 56' ' ' CYS . 9.0 m-85 -99.81 150.38 22.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.601 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 17.2 m -113.49 102.78 10.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.454 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.659 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 5.8 p90 -99.87 128.54 45.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.213 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 1.013 ' HD2' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -126.18 99.16 5.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.418 179.698 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.994 ' HB2' HD21 ' A' ' 53' ' ' ASN . 45.8 t90 -103.56 147.43 27.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.034 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' ' 35' ' ' ARG . 19.8 tp -139.82 133.5 30.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.936 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 6.5 t-20 -112.23 105.4 13.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 2.67 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mm -100.03 -55.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.569 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 8.5 t -91.2 -26.46 19.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.722 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 32' ' ' SER . 7.9 t30 88.82 10.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.699 ' OE1' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -96.17 143.93 26.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.795 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.699 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -127.74 142.86 51.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.987 0.422 . . . . 0.0 111.106 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.68 ' CE3' ' CD2' ' A' ' 27' ' ' TRP . 9.4 m0 -106.3 84.82 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.62 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.976 HD23 ' O ' ' A' ' 4' ' ' TYR . 11.1 mp -104.66 127.54 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.056 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' C ' ' CE1' ' A' ' 25' ' ' TYR . . . 169.98 -161.68 34.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 19.9 m -99.68 147.31 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.61 ' C ' ' HB3' ' A' ' 21' ' ' GLU . . . -140.98 160.56 39.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.22 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.883 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -89.17 -25.22 21.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.485 ' HB ' ' H ' ' A' ' 43' ' ' CYS . 0.6 OUTLIER -128.77 -154.28 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.559 179.749 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.485 ' H ' ' HB ' ' A' ' 42' ' ' THR . 28.0 t -122.04 138.09 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.059 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.653 HG23 ' CG ' ' A' ' 53' ' ' ASN . 6.5 t -124.91 30.61 5.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.637 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -45.63 128.89 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.896 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.639 HG21 HG11 ' A' ' 51' ' ' VAL . 4.7 mt -138.62 82.75 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.992 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -95.32 92.99 7.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.4 p -118.18 -131.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.476 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.829 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -107.76 -36.18 6.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.941 179.85 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.829 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -115.56 -23.44 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.184 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.965 HG13 ' HE1' ' A' ' 27' ' ' TRP . 51.4 t -104.33 126.56 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.364 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -130.95 101.71 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.002 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.994 HD21 ' HB2' ' A' ' 27' ' ' TRP . 26.0 t-20 -117.08 127.66 54.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.508 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 1.013 ' HD3' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -125.85 128.3 47.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 111.365 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -99.84 141.81 32.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.666 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.563 ' O ' ' CD2' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -131.88 175.23 9.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.958 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.486 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.5 OUTLIER -139.99 16.2 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.299 -179.624 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.62 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 81.4 p -126.27 151.92 46.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.922 0.391 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.726 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 0.1 OUTLIER -40.83 149.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.608 ' C ' ' O ' ' A' ' 59' ' ' ASN . 60.7 mt 17.52 59.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 58' ' ' THR . 9.1 t -81.99 -1.42 48.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.797 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -129.51 128.3 42.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.774 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.643 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 2.2 ttt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.886 0.374 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.863 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -103.92 154.9 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 1.8 m -112.86 -172.61 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.594 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.827 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -138.12 115.56 11.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.47 179.748 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.982 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -111.09 171.66 7.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 -179.664 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 1.8 t -112.37 130.8 55.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -89.47 -172.07 45.45 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.403 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.76 HG13 ' N ' ' A' ' 9' ' ' SER . 13.1 p -45.78 -60.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.76 ' N ' HG13 ' A' ' 8' ' ' VAL . 2.1 t -125.32 26.35 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.795 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -138.73 157.99 24.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -137.5 24.97 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.874 -179.856 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -120.79 46.26 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.602 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 1.8 mp -99.67 119.64 38.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.692 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HA ' ' HD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -98.64 111.33 23.73 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 -179.39 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.868 ' CG2' ' HD2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -104.43 169.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.601 ' N ' ' CG1' ' A' ' 15' ' ' ILE . 3.2 m -125.46 116.33 21.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -79.28 175.31 10.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.628 ' O ' ' N ' ' A' ' 20' ' ' GLU . 56.0 m -126.71 161.51 27.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -31.27 -30.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.633 ' OE1' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -65.52 -50.9 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.702 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -109.65 133.93 52.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.553 ' O ' ' CE ' ' A' ' 1' ' ' MET . 17.1 p -135.95 -2.99 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.73 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.749 ' HE1' HG22 ' A' ' 57' ' ' THR . 1.2 m-85 -100.48 148.05 25.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.982 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.643 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 5.7 m -118.0 97.07 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.366 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.596 ' H ' ' HD1' ' A' ' 25' ' ' TYR . 0.7 OUTLIER -99.76 133.39 44.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.065 0.459 . . . . 0.0 111.382 -179.51 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.897 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -125.83 103.7 7.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.47 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.015 ' NE1' HG13 ' A' ' 51' ' ' VAL . 12.2 t90 -106.49 146.93 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.601 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 18.6 tp -138.07 135.59 35.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.965 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 48.2 t-20 -114.5 97.37 6.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.035 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.559 ' HZ3' ' HB2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -61.61 11.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.845 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.612 ' H ' ' C ' ' A' ' 29' ' ' ASN . 13.8 mm -116.02 -53.83 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.524 ' H ' ' CG ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -95.65 5.61 51.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t30 52.88 9.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 28.9 tt0 -86.1 138.23 32.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.601 ' HG2' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.08 129.01 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.813 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 13.2 m0 -99.99 83.42 2.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.982 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 5.7 mp -105.62 117.28 33.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.492 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . -179.37 -171.86 42.91 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.596 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.9 m -99.5 140.66 33.36 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.0 111.017 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -138.34 165.03 27.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.633 ' HD2' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -75.14 -24.55 57.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.51 ' CA ' ' HD2' ' A' ' 23' ' ' PHE . 10.7 p -136.9 -155.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 7.6 t -111.74 149.85 31.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.824 ' O ' HG13 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -130.42 26.25 5.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.719 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -41.4 132.35 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.824 HG13 ' O ' ' A' ' 44' ' ' THR . 15.9 mt -140.16 98.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.251 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.01 103.65 15.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.652 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -129.51 -149.6 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.397 179.758 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.83 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 1.5 p-90 -96.73 -26.4 15.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 0.0 110.793 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.83 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 1.3 p30 -128.48 -18.88 3.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.015 HG13 ' NE1' ' A' ' 27' ' ' TRP . 52.7 t -107.0 117.48 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.504 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' A' ' 46' ' ' ILE . 2.0 t80 -127.37 108.74 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.79 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.776 HD21 ' HB2' ' A' ' 27' ' ' TRP . 26.4 t-20 -117.67 131.48 56.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.476 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.576 ' HD2' ' HD2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -129.27 124.87 35.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 111.247 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.513 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.6 m -99.32 148.08 24.53 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.773 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -137.04 159.91 40.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.094 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.749 HG22 ' HE1' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -121.01 30.37 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.631 ' OG1' ' HB2' ' A' ' 61' ' ' CYS . 4.2 p -132.85 167.81 19.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.75 ' OD1' HD12 ' A' ' 60' ' ' LEU . 1.3 t-20 -51.33 140.65 16.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.75 HD12 ' OD1' ' A' ' 59' ' ' ASN . 1.2 mp 18.83 42.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.734 ' N ' ' O ' ' A' ' 59' ' ' ASN . 8.6 t -64.86 -13.36 56.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.717 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.897 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 17.1 p-10 -111.86 76.46 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.655 HG22 ' CD2' ' A' ' 4' ' ' TYR . 62.7 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.625 ' SD ' ' O ' ' A' ' 22' ' ' THR . 15.5 ttp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.82 0.343 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.871 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -136.85 153.35 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 10.8 m -131.51 178.19 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.727 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -128.79 106.91 9.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.793 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.784 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -95.53 174.56 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.997 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -114.36 154.59 27.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.04 -170.99 12.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.449 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.31 3.39 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 111.194 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 t -147.47 -20.89 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.802 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.751 ' O ' HD11 ' A' ' 13' ' ' LEU . . . -145.84 125.19 2.23 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.551 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t -100.04 36.4 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 110.783 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.727 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -137.01 52.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.875 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.751 HD11 ' O ' ' A' ' 10' ' ' GLY . 3.4 mp -99.2 125.39 44.77 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.647 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.664 ' HB2' ' OE1' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -98.91 115.92 29.96 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.248 -179.317 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.871 ' O ' ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -109.73 148.51 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.728 179.643 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.669 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -105.41 118.43 36.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.154 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 21.5 p -112.7 116.86 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.706 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.729 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -152.7 134.19 14.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 94.25 -40.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -59.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.776 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.845 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -111.27 132.08 54.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.625 ' O ' ' SD ' ' A' ' 1' ' ' MET . 1.3 p -128.09 -5.29 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.017 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.786 ' CE2' HG22 ' A' ' 57' ' ' THR . 9.3 m-85 -101.48 162.54 12.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.593 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -122.24 99.38 6.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.481 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.656 ' HE1' ' CB ' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -102.45 135.85 43.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.269 -179.537 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.39 105.63 8.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.948 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 31.9 t90 -103.81 147.03 27.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.678 HD12 ' N ' ' A' ' 29' ' ' ASN . 3.3 tp -138.35 130.28 28.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 111.097 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.948 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 62.0 t-20 -108.83 109.57 20.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.678 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 1.6 mtmt -76.85 12.99 1.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.012 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.523 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 13.2 mm -114.36 -47.09 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.0 15.62 22.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.099 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 45.47 23.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.584 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 1.3 mt-10 -104.78 130.06 52.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.717 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.645 ' HA ' ' CE3' ' A' ' 27' ' ' TRP . 1.2 ptt180 -128.97 148.65 50.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.293 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.739 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 7.4 m0 -107.13 94.0 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.696 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.921 ' CD2' HD22 ' A' ' 62' ' ' ASN . 4.3 mp -104.47 118.75 37.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.83 -164.44 37.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.542 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 12.5 m -99.8 151.61 21.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.649 ' HB2' ' HD2' ' A' ' 25' ' ' TYR . . . -140.83 160.65 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.224 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.921 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.29 -25.19 46.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.062 0.458 . . . . 0.0 110.286 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.7 p -140.01 -168.5 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.397 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.81 137.69 38.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.935 0.397 . . . . 0.0 110.997 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.831 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -123.88 29.66 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.815 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.755 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -40.95 132.99 2.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.818 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 40.5 mt -140.28 86.67 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.15 84.85 3.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -100.92 -143.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.823 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -106.34 -18.77 13.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.704 179.753 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.823 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -125.17 -29.92 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.76 HG11 ' HE1' ' A' ' 27' ' ' TRP . 2.5 t -106.83 146.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.98 0.419 . . . . 0.0 111.391 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -140.33 113.23 8.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.818 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -117.25 130.39 56.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.417 179.798 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.87 126.9 35.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.961 0.41 . . . . 0.0 111.582 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.44 150.48 22.59 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.55 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.572 ' SG ' HG23 ' A' ' 58' ' ' THR . 0.1 OUTLIER -145.32 177.47 8.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.988 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.786 HG22 ' CE2' ' A' ' 23' ' ' PHE . 10.5 p -135.84 37.14 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.648 ' OG1' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -124.14 172.8 8.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.592 ' O ' ' N ' ' A' ' 61' ' ' CYS . 63.8 t30 -76.96 150.07 35.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.644 HD21 ' OE1' ' A' ' 2' ' ' GLU . 64.0 mt 21.07 47.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.648 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 1.9 p -81.99 -13.27 57.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.921 HD22 ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -97.1 97.77 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.017 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.82 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tmm? . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.796 0.331 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.49 144.16 43.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -118.97 -175.57 2.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.995 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.803 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -124.4 102.67 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.924 ' HG2' HG22 ' A' ' 15' ' ' ILE . 5.8 ptt180 -95.48 171.93 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 t -119.53 115.7 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.13 -135.32 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.75 -13.75 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.358 . . . . 0.0 111.038 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.9 t -142.9 -16.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.41 153.8 17.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.382 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.68 28.09 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.803 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -131.99 47.93 2.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 4' ' ' TYR . 4.9 mp -99.54 131.36 45.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.012 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.825 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.57 105.75 17.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.924 HG22 ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -101.69 169.62 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.814 ' H ' HG12 ' A' ' 15' ' ' ILE . 3.9 m -115.82 116.38 27.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.15 112.08 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -48.2 165.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.736 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.83 -8.88 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.873 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.76 -45.53 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.8 127.53 51.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.43 1.4 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.725 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-85 -102.86 147.16 27.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -116.43 100.91 8.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.424 179.649 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.845 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -99.55 132.46 44.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.461 -179.498 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.913 ' HD3' ' HD2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -129.47 98.93 5.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.351 179.53 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.92 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 40.8 t90 -99.46 137.89 37.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.926 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.5 OUTLIER -123.82 130.13 52.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.054 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.926 ' N ' HD12 ' A' ' 28' ' ' LEU . 12.4 t-20 -109.53 92.49 4.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 25.1 mtpt -64.89 19.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.032 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.615 ' H ' ' C ' ' A' ' 29' ' ' ASN . 11.2 mm -118.7 -53.78 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -106.49 25.75 10.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' SER . 8.1 t-20 37.38 30.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.771 ' HG2' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -113.32 135.24 54.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.645 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.704 ' HG3' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -129.51 144.18 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.918 0.39 . . . . 0.0 111.225 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.845 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 7.4 m0 -101.99 88.3 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.635 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.704 HD13 ' HG3' ' A' ' 35' ' ' ARG . 7.2 mp -101.17 129.33 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.672 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 167.79 -176.54 42.42 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.428 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.638 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 1.7 m -99.51 140.83 33.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.868 0.365 . . . . 0.0 111.105 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.725 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.98 176.27 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.065 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.873 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -82.58 -58.11 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.9 p -104.51 -172.0 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.7 t -109.75 149.16 30.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.033 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.831 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -138.57 33.23 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.874 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -35.8 132.8 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.722 HG13 ' O ' ' A' ' 44' ' ' THR . 18.5 mt -135.01 78.28 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.72 80.5 3.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.3 p -99.8 -132.81 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.764 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.816 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 1.1 p-90 -102.04 -36.24 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.164 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.816 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 1.5 p30 -114.57 -29.29 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.418 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.78 HG13 ' CD1' ' A' ' 27' ' ' TRP . 4.2 t -99.5 140.37 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.931 0.396 . . . . 0.0 111.355 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.627 ' OH ' ' HE2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -140.17 97.48 3.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.995 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.874 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 60.2 t30 -107.87 131.93 53.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.476 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.913 ' HD2' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -134.86 128.54 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 111.378 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.22 149.71 23.72 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.49 160.64 38.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.965 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.3 p -119.46 10.46 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.428 ' HB ' ' H ' ' A' ' 59' ' ' ASN . 36.5 p -107.18 -161.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.719 ' O ' ' N ' ' A' ' 61' ' ' CYS . 18.8 t-20 -87.42 159.22 18.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.66 HD22 ' HD1' ' A' ' 4' ' ' TYR . 6.3 mt 13.27 51.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.719 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.9 OUTLIER -80.88 -3.87 52.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.775 ' OD1' ' HB3' ' A' ' 26' ' ' LYS . 1.4 t30 -117.19 70.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.631 ' OG1' ' CD2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.48 ' SD ' ' HA ' ' A' ' 22' ' ' THR . 3.1 ttt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.756 0.313 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.663 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 1.4 mt-10 -108.49 138.2 45.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -117.53 -171.99 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.716 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -122.96 105.04 9.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.824 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.773 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -101.25 164.68 11.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.861 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.8 t -111.93 114.22 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.714 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -68.65 -115.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.438 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 p -124.08 -31.21 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -127.82 1.63 6.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.426 ' O ' HD11 ' A' ' 13' ' ' LEU . . . -141.1 137.03 7.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.84 ' SG ' ' NH2' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -113.5 36.98 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.622 ' C ' ' HE1' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -138.7 50.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.774 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.718 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 3.8 mp -99.64 133.09 44.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.709 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -102.27 112.35 25.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.876 HG12 ' N ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -110.71 166.19 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.174 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.876 ' N ' HG12 ' A' ' 15' ' ' ILE . 94.3 m -120.59 111.45 17.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.724 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -72.8 -152.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.036 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -163.44 171.11 16.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -35.66 -46.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.266 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.07 -54.64 44.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.862 ' HB2' ' HB2' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -103.21 102.79 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.97 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.48 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 1.2 p -112.06 -4.05 14.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.831 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.5 m-85 -101.54 158.32 16.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.03 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 t -124.99 98.5 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.712 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 8.6 p90 -99.77 137.48 38.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.216 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.86 ' HG3' ' OD1' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -129.11 98.87 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.324 179.457 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.966 ' NE1' HG13 ' A' ' 51' ' ' VAL . 34.6 t90 -99.51 142.24 31.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.017 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.973 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -131.34 128.92 40.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.973 ' N ' HD12 ' A' ' 28' ' ' LEU . 21.9 t-20 -109.33 105.34 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.5 36.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.74 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.854 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 3.4 mm -129.11 -46.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.345 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.21 19.05 7.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.128 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.5 t30 54.46 24.45 5.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.497 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -93.78 122.98 36.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.84 ' NH2' ' SG ' ' A' ' 11' ' ' CYS . 23.7 mtm180 -126.45 142.26 51.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.717 ' CD2' ' CE3' ' A' ' 27' ' ' TRP . 10.2 m0 -104.76 87.08 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.719 ' CG ' HD21 ' A' ' 62' ' ' ASN . 5.5 mp -102.24 113.8 27.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . -178.93 -176.91 47.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.282 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.862 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.7 m -99.45 125.35 45.16 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.881 0.372 . . . . 0.0 110.984 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.817 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -118.08 164.87 14.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.196 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.973 ' HD2' ' H ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -73.97 -42.62 60.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.973 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 36.7 p -132.79 138.75 47.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.9 t -44.42 153.25 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.306 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.753 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -140.14 23.62 2.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.543 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.65 132.31 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.13 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.728 HG13 ' O ' ' A' ' 44' ' ' THR . 11.0 mt -136.09 90.84 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.12 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -99.46 102.11 13.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.0 p -126.64 -138.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.762 ' CH2' ' ND2' ' A' ' 50' ' ' ASN . 5.1 p-90 -97.01 -37.83 10.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.118 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.762 ' ND2' ' CH2' ' A' ' 49' ' ' TRP . 1.2 p-10 -121.35 -18.9 7.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.295 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.966 HG13 ' NE1' ' A' ' 27' ' ' TRP . 46.0 t -99.81 125.88 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.295 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.867 ' HE1' ' HD3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -133.72 100.52 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.708 ' ND2' HG22 ' A' ' 44' ' ' THR . 31.7 t30 -114.53 130.56 56.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.581 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.867 ' HD3' ' HE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -128.31 127.94 43.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.149 -179.687 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -99.64 149.14 23.6 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.589 ' SG ' HG23 ' A' ' 58' ' ' THR . 0.0 OUTLIER -144.04 160.92 40.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.661 ' OG1' ' O ' ' A' ' 57' ' ' THR . 0.3 OUTLIER -124.37 42.72 3.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.092 0.472 . . . . 0.0 110.854 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.724 ' OG1' ' HB3' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -130.79 176.18 8.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.587 ' O ' ' C ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -80.03 150.17 30.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.018 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.587 ' C ' ' O ' ' A' ' 59' ' ' ASN . 6.8 mt 20.07 60.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.724 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 30.5 p -99.64 -22.75 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.86 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 5.3 t30 -90.65 73.17 6.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.001 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.794 ' CG ' ' HA ' ' A' ' 59' ' ' ASN . 2.6 ttp . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.82 0.343 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.656 ' C ' HD23 ' A' ' 60' ' ' LEU . 43.6 mt-10 -105.61 161.38 14.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.62 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 19.9 m -138.96 -178.46 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.814 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -118.41 102.3 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.98 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -103.26 166.52 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 1.9 t -103.51 123.94 47.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.692 ' N ' HD13 ' A' ' 13' ' ' LEU . . . -71.05 -156.36 2.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.352 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.455 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 0.2 OUTLIER -83.1 -13.81 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.07 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -150.08 -4.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.443 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -125.36 163.56 19.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.622 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -132.61 34.4 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.952 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.59 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 4.3 m-70 -135.57 45.17 2.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.692 HD13 ' N ' ' A' ' 7' ' ' GLY . 2.9 mp -99.67 131.77 45.44 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -99.13 106.77 19.0 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.797 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.98 ' HB ' ' NE ' ' A' ' 5' ' ' ARG . 1.3 tt -99.83 171.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.931 ' N ' HG12 ' A' ' 15' ' ' ILE . 22.3 m -134.11 107.19 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.054 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.884 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -58.58 170.96 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.763 179.795 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 20' ' ' GLU . 16.7 m -117.46 163.82 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -35.29 -26.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.977 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -74.83 -48.53 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.75 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.884 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -107.29 122.1 45.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.595 ' O ' ' HE2' ' A' ' 1' ' ' MET . 6.5 p -126.15 -4.6 6.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.984 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.762 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 5.1 m-85 -99.93 161.12 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.39 99.18 7.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.771 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.683 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 1.2 p90 -100.61 140.22 35.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.419 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.703 ' HG3' ' OD1' ' A' ' 62' ' ' ASN . 3.5 ttpt -135.48 97.26 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.131 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.948 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 18.5 t90 -100.92 143.5 30.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.749 HD12 ' H ' ' A' ' 29' ' ' ASN . 1.8 tp -133.22 134.61 44.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.067 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.948 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 60.9 t-20 -113.88 112.26 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.752 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.839 ' HB3' ' HZ2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -76.35 10.42 2.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.949 HD11 HD21 ' A' ' 50' ' ' ASN . 25.6 mm -109.4 -55.37 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -104.56 24.07 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.677 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.2 OUTLIER 36.25 27.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.985 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.889 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 17.7 tt0 -99.2 136.47 39.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 138.04 50.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.999 0.428 . . . . 0.0 111.542 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.728 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 10.1 m0 -99.93 86.53 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.285 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 4' ' ' TYR . 5.5 mp -100.05 117.46 34.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.668 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 171.56 -166.3 39.3 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.064 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.649 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 17.9 m -103.01 150.51 23.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.008 0.433 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.762 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.53 151.67 44.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.088 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' HE2' ' H ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -66.38 -23.81 66.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.52 ' H ' ' HE2' ' A' ' 41' ' ' LYS . 10.2 p -138.89 -164.61 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.4 t -101.86 146.43 27.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 44' ' ' THR . 0.7 OUTLIER -134.14 29.78 3.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.901 ' HA ' HD22 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.6 133.53 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.951 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 7.5 mt -140.15 83.42 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.235 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.79 81.05 3.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.65 HG23 HG22 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -100.2 -139.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.765 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.828 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -93.59 -45.76 7.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.949 HD21 HD11 ' A' ' 31' ' ' ILE . 9.5 p30 -114.59 -11.72 12.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.743 ' CG1' ' HE1' ' A' ' 27' ' ' TRP . 12.4 t -102.78 139.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.526 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.572 ' HE2' ' NZ ' ' A' ' 26' ' ' LYS . 1.8 t80 -140.13 105.39 5.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.951 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -115.77 130.7 56.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.545 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -131.98 125.46 31.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.352 -179.669 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.563 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -100.06 151.11 21.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.851 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.38 172.72 12.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.46 7.62 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.831 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -113.68 148.54 36.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.794 ' HA ' ' CG ' ' A' ' 1' ' ' MET . 52.1 t30 -39.17 159.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.656 HD23 ' C ' ' A' ' 2' ' ' GLU . 39.1 mt 13.1 55.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.831 ' HB2' ' O ' ' A' ' 58' ' ' THR . 0.9 OUTLIER -81.45 -1.98 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.768 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.797 HD21 ' HG ' ' A' ' 37' ' ' LEU . 37.9 t30 -111.68 75.85 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.575 HG22 ' CG ' ' A' ' 4' ' ' TYR . 4.6 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.77 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.754 0.312 . . . . 0.0 111.255 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.618 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 43.4 mt-10 -99.78 132.56 45.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 28.0 m -108.82 -168.57 1.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.699 ' HD1' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -125.68 105.02 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.843 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.705 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.23 161.81 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.547 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.61 115.42 23.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.932 0.396 . . . . 0.0 111.101 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.8 34.84 2.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.385 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.711 HG12 ' N ' ' A' ' 9' ' ' SER . 0.6 OUTLIER 74.17 -58.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 111.119 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.711 ' N ' HG12 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -97.28 -9.6 27.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.99 125.29 3.35 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.394 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.8 38.61 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.952 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.07 38.43 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.297 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.705 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 2.8 mp -100.04 132.02 45.65 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.561 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -103.35 122.45 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 111.186 -179.637 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.703 HG12 ' N ' ' A' ' 16' ' ' THR . 0.1 OUTLIER -113.54 164.51 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.032 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.703 ' N ' HG12 ' A' ' 15' ' ' ILE . 51.3 m -125.72 107.29 10.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.992 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -99.49 106.31 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.699 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -139.45 128.19 23.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.037 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 85.64 -36.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -67.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.822 ' CB ' ' HB3' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -100.89 154.08 18.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.579 179.597 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -137.2 -13.98 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.175 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.724 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 10.0 m-85 -112.23 162.23 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.232 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.59 95.27 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.584 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.877 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 2.7 p90 -100.74 148.43 24.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.358 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.918 ' HE2' ' CE2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -139.07 99.66 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.536 179.613 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.918 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 33.5 t90 -100.21 146.14 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.052 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.173 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -133.67 131.85 40.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.016 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 1.173 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -105.0 118.53 36.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 1.01 ' HE2' ' HA ' ' A' ' 50' ' ' ASN . 21.8 mtmt -80.88 22.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -133.1 -62.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.294 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.599 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -92.6 21.78 5.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.505 ' OD1' ' O ' ' A' ' 33' ' ' ASN . 25.4 t-20 37.95 22.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.67 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 2.4 mt-10 -89.22 128.89 35.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.724 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 1.017 ' NH2' HD22 ' A' ' 28' ' ' LEU . 1.9 ptp180 -125.56 134.81 51.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.019 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.877 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 13.5 m0 -99.89 84.76 2.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.629 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 35' ' ' ARG . 7.7 mp -99.75 119.07 37.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.01 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.55 -166.95 39.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.822 ' HB3' ' CB ' ' A' ' 21' ' ' GLU . 34.3 m -100.51 150.05 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.957 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.564 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.76 167.15 22.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.01 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -32.86 23.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.725 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.56 144.75 44.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.708 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.3 t -61.74 148.25 43.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.808 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -139.99 25.85 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.836 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.76 139.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.934 HD12 ' CB ' ' A' ' 53' ' ' ASN . 1.9 mt -140.1 88.71 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.225 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -101.41 77.9 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.643 HG23 HG22 ' A' ' 46' ' ' ILE . 7.1 p -100.04 -124.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.739 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.897 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 2.7 p-90 -105.75 -49.14 3.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 1.01 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -109.27 -19.84 13.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.385 -179.491 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.739 HG13 ' CD1' ' A' ' 27' ' ' TRP . 5.2 t -99.85 132.07 46.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.901 0.381 . . . . 0.0 111.311 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.918 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 1.6 t80 -135.04 104.05 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.828 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.934 ' CB ' HD12 ' A' ' 46' ' ' ILE . 16.6 t-20 -116.94 135.23 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.684 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.762 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -136.5 127.14 27.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.285 -179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.85 153.34 19.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.09 164.52 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.029 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.54 HG22 ' HE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -124.9 4.11 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.5 178.41 4.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.621 ' O ' ' N ' ' A' ' 61' ' ' CYS . 1.4 t-20 -66.96 158.17 31.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.095 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.619 ' C ' ' O ' ' A' ' 59' ' ' ASN . 48.8 mt 13.99 54.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.322 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.621 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -80.82 -3.92 52.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.985 0.421 . . . . 0.0 110.505 179.619 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.484 ' C ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -106.55 97.57 7.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.779 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.703 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.857 0.361 . . . . 0.0 111.254 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 1.004 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -129.77 140.92 50.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 88.8 m -107.89 172.64 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.971 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -116.33 100.99 8.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.609 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.841 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.87 173.41 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.817 ' SG ' ' NH2' ' A' ' 35' ' ' ARG . 2.2 t -120.39 112.92 19.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.796 ' H ' HD11 ' A' ' 13' ' ' LEU . . . -68.54 -146.98 0.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.353 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 8' ' ' VAL . 2.5 p -79.15 -40.52 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.969 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 t -133.9 21.23 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -140.66 150.26 21.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.51 15.94 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.349 . . . . 0.0 110.969 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.727 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 49.0 m170 -117.2 50.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.841 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.1 mp -100.38 123.68 44.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.786 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -99.81 108.36 20.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.714 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.516 ' C ' ' HG2' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -115.52 146.59 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.242 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 1.004 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 5.1 m -90.28 125.76 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.744 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.626 ' SG ' ' SD ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -93.32 146.64 23.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.0 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.18 -177.26 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.26 -11.7 23.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.176 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -81.29 -50.04 10.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.531 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.11 101.45 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.566 ' C ' ' HE3' ' A' ' 1' ' ' MET . 5.4 p -107.7 2.87 24.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.679 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.632 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 3.5 m-85 -108.91 147.9 31.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.233 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.681 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 42.2 m -115.0 101.95 9.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.205 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.735 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 28.5 p90 -99.87 129.57 45.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.049 0.452 . . . . 0.0 111.713 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 1.0 ' HB3' ' HB2' ' A' ' 62' ' ' ASN . 4.0 ptmt -123.03 97.75 5.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.875 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.027 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 68.1 t90 -101.77 145.87 28.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.348 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.644 HD13 ' HG3' ' A' ' 35' ' ' ARG . 11.8 tp -138.82 128.71 25.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.811 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.955 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 15.4 t-20 -107.9 113.53 26.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.028 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.642 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -78.46 15.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.805 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.863 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 5.1 mm -103.89 -61.2 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.55 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 29.1 t -102.55 -15.86 16.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 32' ' ' SER . 40.8 t-20 87.98 16.73 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.64 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 4.7 tt0 -84.45 129.38 34.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.967 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -117.8 127.81 54.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.738 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 8.1 m0 -100.04 82.42 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.971 HD23 ' O ' ' A' ' 4' ' ' TYR . 6.4 mp -104.11 122.62 45.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 177.09 -172.72 45.64 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 3.2 m -99.3 137.92 37.12 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.856 0.36 . . . . 0.0 111.034 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.632 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.97 168.83 18.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.032 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -80.19 -50.67 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.64 -158.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 16.0 t -116.34 135.28 54.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.806 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -113.28 23.44 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.75 123.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.771 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.962 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 20.8 mt -133.46 81.27 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.252 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.57 89.88 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.816 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.59 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 1.9 p -109.28 -132.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.871 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 2.1 p-90 -98.74 -49.5 4.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.674 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.871 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -110.91 -13.8 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.139 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.744 HG13 ' NE1' ' A' ' 27' ' ' TRP . 14.6 t -102.35 139.34 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.369 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.552 ' HE1' ' HB2' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -140.17 106.14 5.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 1.027 ' ND2' ' HB2' ' A' ' 27' ' ' TRP . 22.4 t-20 -117.13 123.0 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.552 ' HB2' ' HE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -124.66 126.82 46.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.91 0.386 . . . . 0.0 111.51 -179.575 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 m -100.45 147.03 26.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.26 -177.96 5.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.1 p -140.16 2.57 1.91 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.322 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.831 HG23 ' SG ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -108.39 172.45 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.168 -179.818 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.658 ' O ' ' N ' ' A' ' 61' ' ' CYS . 3.8 t30 -58.34 155.52 11.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.623 ' C ' ' O ' ' A' ' 59' ' ' ASN . 1.2 mt 16.09 51.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.831 ' SG ' HG23 ' A' ' 58' ' ' THR . 0.6 OUTLIER -76.86 -28.5 55.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 1.0 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 19.9 p-10 -107.23 106.79 17.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.918 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.641 ' HG2' ' HA ' ' A' ' 59' ' ' ASN . 13.4 tmm? . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.82 0.343 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.462 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -105.84 143.2 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.98 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.83 -177.59 3.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.032 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.605 ' HE2' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -129.87 106.65 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.758 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.581 ' O ' HD13 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -100.79 177.87 4.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 45.1 t -133.51 109.07 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -75.29 -171.15 28.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.548 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 9' ' ' SER . 10.9 p -66.57 -40.23 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 111.278 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.441 ' N ' HG13 ' A' ' 8' ' ' VAL . 5.0 t -116.08 0.6 13.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.98 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.566 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -129.46 148.61 18.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.691 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -136.07 18.07 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.023 0.44 . . . . 0.0 110.617 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.58 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -136.02 48.63 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.388 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.982 HD12 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -98.85 128.15 44.97 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -179.45 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.73 122.45 42.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.992 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.689 HG13 ' N ' ' A' ' 16' ' ' THR . 0.3 OUTLIER -111.78 156.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.814 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.689 ' N ' HG13 ' A' ' 15' ' ' ILE . 4.4 m -112.3 104.61 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.041 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.068 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -75.94 137.25 40.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.744 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 20' ' ' GLU . 29.2 p -88.3 159.67 17.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.986 0.422 . . . . 0.0 110.987 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -29.88 -37.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -52.11 -50.75 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 1.068 ' HG3' ' HB3' ' A' ' 17' ' ' CYS . 3.7 pt-20 -114.44 138.59 50.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.11 -1.14 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.7 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-30 -99.8 153.94 18.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.849 ' SG ' ' HB3' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -118.28 103.34 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.741 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 2.8 p90 -99.86 132.02 45.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.025 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.604 ' HZ3' ' HA ' ' A' ' 62' ' ' ASN . 8.7 ttpt -132.86 99.69 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.729 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.053 ' HB2' HD21 ' A' ' 53' ' ' ASN . 29.6 t90 -101.43 144.8 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.879 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -133.08 133.65 43.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.938 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 10.8 t-20 -114.72 116.57 28.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.44 -2.99 41.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -105.85 -49.27 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.574 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 41.4 t -93.79 2.72 56.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 32' ' ' SER . 0.7 OUTLIER 48.44 14.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.929 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 1.1 tt0 -95.22 145.93 24.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.717 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.532 ' H ' ' HD2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -129.68 131.62 46.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.741 ' HB3' ' HE2' ' A' ' 25' ' ' TYR . 9.7 m0 -99.91 86.05 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.789 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 4' ' ' TYR . 9.6 mp -105.87 129.45 54.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.01 -168.0 41.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.63 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.565 ' HB2' ' OE2' ' A' ' 21' ' ' GLU . 4.9 m -99.28 141.82 31.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.7 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -138.5 153.9 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.227 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.862 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.88 -18.01 54.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.682 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.12 -170.57 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.634 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 29.1 t -101.91 145.72 28.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.054 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -134.45 30.55 3.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.796 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -45.6 128.03 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.864 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 8.1 mt -132.69 80.86 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.637 ' C ' ' OD1' ' A' ' 47' ' ' ASP . 2.3 t0 -93.49 100.22 12.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.7 p -120.57 -129.22 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.819 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -109.43 -39.07 5.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.687 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.819 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 1.2 p30 -114.27 -19.58 11.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.963 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.924 HG13 ' NE1' ' A' ' 27' ' ' TRP . 24.1 t -104.25 139.3 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.443 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -140.0 100.29 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 1.053 HD21 ' HB2' ' A' ' 27' ' ' TRP . 20.9 t-20 -112.39 125.74 54.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.41 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.844 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -127.4 128.65 46.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.552 -179.514 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.844 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -100.01 149.21 23.7 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.38 174.49 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -137.54 29.9 2.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.7 p -139.96 -177.79 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.039 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.705 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.4 OUTLIER -68.93 162.93 25.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 59' ' ' ASN . 18.2 mt 13.92 51.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.705 ' N ' ' O ' ' A' ' 59' ' ' ASN . 1.6 t -90.02 2.59 55.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.849 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 0.3 OUTLIER -121.28 32.92 5.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.968 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.873 ' SD ' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.762 0.315 . . . . 0.0 111.225 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 1.014 ' HG2' ' HA ' ' A' ' 16' ' ' THR . 8.6 mt-10 -99.98 142.3 31.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.735 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.7 m -123.52 168.19 12.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.055 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -101.13 92.15 4.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.609 179.791 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 1.095 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -89.97 170.54 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.713 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 3.3 t -112.9 135.62 53.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.751 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.537 ' H ' HD11 ' A' ' 13' ' ' LEU . . . -95.26 -133.23 7.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.554 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.578 ' CG1' ' N ' ' A' ' 9' ' ' SER . 2.0 p -86.61 -49.74 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.273 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.578 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 41.1 t -124.83 8.42 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.022 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.74 149.84 18.86 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.581 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -127.02 20.37 6.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.965 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.619 ' HA ' ' CD1' ' A' ' 4' ' ' TYR . 1.2 m170 -126.0 52.23 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.805 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.537 HD11 ' H ' ' A' ' 7' ' ' GLY . 3.3 mp -99.67 131.55 45.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.046 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.875 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -100.26 101.62 12.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.103 HD12 ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -106.84 135.6 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 1.014 ' HA ' ' HG2' ' A' ' 2' ' ' GLU . 48.3 m -96.11 114.14 25.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.103 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 3.6 m -116.95 137.24 52.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.52 ' C ' ' H ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -153.96 151.39 29.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 72.04 -31.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -108.17 -62.37 1.46 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.605 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 1.103 ' HG3' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -110.44 136.99 48.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.631 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 p -134.57 -8.6 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.165 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.784 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 2.8 m-85 -104.74 154.4 20.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.969 0.414 . . . . 0.0 111.233 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.733 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 60.8 m -110.67 95.91 5.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.145 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.943 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 10.1 p90 -99.8 137.78 37.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.031 0.443 . . . . 0.0 111.497 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.701 ' NZ ' ' CE2' ' A' ' 52' ' ' TYR . 2.7 ttpt -135.18 97.04 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.393 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.951 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 41.2 t90 -99.78 131.49 45.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.031 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.96 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -126.55 123.19 37.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.321 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.96 ' N ' HD12 ' A' ' 28' ' ' LEU . 45.4 t30 -107.39 110.18 22.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.78 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -70.83 -2.05 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.1 mm -100.7 -60.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.236 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.714 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.5 t -95.93 22.82 6.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 32' ' ' SER . 0.0 OUTLIER 35.47 19.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.04 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.718 ' HB3' ' CZ3' ' A' ' 27' ' ' TRP . 2.0 mt-10 -86.38 134.89 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.613 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.667 ' HG2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -133.77 128.76 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.946 0.403 . . . . 0.0 111.355 -179.659 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.943 ' HB3' ' HE2' ' A' ' 25' ' ' TYR . 7.9 m0 -102.06 87.72 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.47 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.095 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 2.7 mp -104.01 127.78 51.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.434 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 159.94 -164.4 34.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.035 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.25 132.52 44.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.767 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -131.58 160.88 34.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.253 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.592 ' HE2' ' HA ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -84.35 -53.07 5.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.684 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 p -104.26 135.27 46.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.705 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.1 t -64.64 134.35 54.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.727 HG23 ' OD1' ' A' ' 53' ' ' ASN . 1.8 t -119.18 34.87 5.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.678 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.94 128.43 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.971 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 68.2 mt -140.03 75.44 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 79.06 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.5 p -99.96 -137.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.755 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.82 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 1.2 p-90 -100.52 -35.83 9.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.82 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -113.19 -28.16 7.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.251 -179.812 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.752 HG13 ' CD1' ' A' ' 27' ' ' TRP . 40.8 t -99.77 142.81 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.701 ' CE2' ' NZ ' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -137.56 95.14 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.803 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.971 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -102.95 115.47 30.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.358 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.604 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -119.73 120.78 37.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 0.0 111.345 -179.561 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.24 142.29 31.92 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.0 173.28 11.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.857 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.73 0.52 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.572 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -103.26 161.79 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.873 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -50.6 153.96 1.49 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 59' ' ' ASN . 76.3 mt 15.49 47.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.732 ' N ' ' O ' ' A' ' 59' ' ' ASN . 2.7 t -70.02 -13.02 62.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.925 ' C ' HD21 ' A' ' 62' ' ' ASN . 0.0 OUTLIER -103.88 103.66 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.582 ' N ' HD21 ' A' ' 62' ' ' ASN . 33.5 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.708 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 4.6 ttp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.799 0.333 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.844 ' HG2' ' HA ' ' A' ' 16' ' ' THR . 38.7 mt-10 -115.49 150.26 36.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.68 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.7 m -111.63 178.47 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.632 ' CD2' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -120.63 108.16 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.577 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.975 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 8.4 ptt85 -106.74 166.57 10.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.16 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 t -118.44 106.79 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.655 ' H ' HD13 ' A' ' 13' ' ' LEU . . . -66.16 -158.79 0.61 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.572 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -91.57 -12.95 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.796 0.331 . . . . 0.0 111.178 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.38 -17.49 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.69 154.32 20.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.612 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.86 20.5 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.829 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.468 ' CA ' ' HE1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -133.14 48.46 2.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.678 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.655 HD13 ' H ' ' A' ' 7' ' ' GLY . 4.5 mp -99.66 122.71 43.07 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.985 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.956 ' HE2' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -99.49 114.43 27.39 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.568 ' O ' ' HG2' ' A' ' 2' ' ' GLU . 1.1 tt -107.48 156.96 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.844 ' HA ' ' HG2' ' A' ' 2' ' ' GLU . 58.7 m -99.05 132.37 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.962 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.708 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -97.81 142.28 29.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -83.31 166.81 18.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.73 -35.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -50.08 66.89 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.676 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 23.1 mt-10 -100.98 116.11 32.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.835 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 t -130.78 5.59 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.956 ' HE1' HG22 ' A' ' 57' ' ' THR . 1.2 m-85 -100.99 161.01 13.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.702 ' HB3' ' HB3' ' A' ' 62' ' ' ASN . 1.3 m -123.29 100.61 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.47 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.476 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -102.55 135.93 43.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 111.523 -179.406 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -127.69 97.02 4.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.207 179.395 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.864 ' NE1' HG13 ' A' ' 51' ' ' VAL . 50.4 t90 -101.78 143.04 32.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.144 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.971 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -135.34 134.4 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.957 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.971 ' N ' HD12 ' A' ' 28' ' ' LEU . 27.5 t-20 -112.19 112.91 24.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -83.64 17.7 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.557 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 7.6 mm -115.03 -39.75 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.532 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 2.5 t -111.94 -20.29 12.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 32' ' ' SER . 47.0 t30 85.73 15.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.667 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 4.4 tt0 -101.65 137.57 39.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 1.076 ' HG3' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -128.9 139.92 51.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.809 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 12.0 m0 -100.44 86.57 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.721 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.076 HD13 ' HG3' ' A' ' 35' ' ' ARG . 5.3 mp -104.74 127.29 52.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.467 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 166.51 -162.72 36.37 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.68 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 57.7 m -99.58 139.84 34.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.82 0.343 . . . . 0.0 110.816 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.829 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -137.73 146.87 44.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.078 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.778 ' HD2' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -70.64 -17.63 62.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.778 HG23 ' HD2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -138.61 -155.92 0.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.612 ' N ' ' OG1' ' A' ' 42' ' ' THR . 39.3 t -135.39 140.42 44.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.734 ' O ' HG23 ' A' ' 44' ' ' THR . 1.1 t -131.08 34.98 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.869 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -37.24 131.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 44' ' ' THR . 7.0 mt -137.83 90.22 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.35 101.51 12.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.0 p -127.42 -137.3 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.53 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.817 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -106.49 -21.63 13.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.79 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.817 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -123.55 -32.02 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.864 HG13 ' NE1' ' A' ' 27' ' ' TRP . 54.4 t -99.7 135.98 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -140.09 96.84 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.772 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.869 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 48.6 t30 -113.14 125.12 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.557 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.498 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -131.68 126.84 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 111.56 -179.676 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.69 151.81 21.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.786 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.606 ' SG ' ' OG1' ' A' ' 58' ' ' THR . 0.0 OUTLIER -150.08 159.4 44.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.046 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.956 HG22 ' HE1' ' A' ' 23' ' ' PHE . 4.1 p -115.07 51.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.035 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.859 ' O ' ' HB3' ' A' ' 61' ' ' CYS . 1.0 OUTLIER -139.58 132.96 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.729 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -40.23 153.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.956 HD11 ' HE2' ' A' ' 14' ' ' LYS . 77.9 mt 12.02 52.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.859 ' HB3' ' O ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -98.14 -21.87 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.702 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 1.7 p-10 -99.53 98.78 9.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.958 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.777 0.322 . . . . 0.0 111.165 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.958 ' N ' ' HG2' ' A' ' 1' ' ' MET . 9.0 mt-10 -103.74 156.06 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.041 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 59.7 m -123.42 -179.45 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.578 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.015 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -129.63 109.93 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.606 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.82 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 10.8 ptt180 -93.83 164.96 12.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -121.98 146.28 47.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.742 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.03 -159.72 12.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.576 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 p -88.22 -30.27 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.341 . . . . 0.0 111.163 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.08 0.09 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.26 123.29 1.97 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.582 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -114.49 37.91 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.495 ' C ' ' HE1' ' A' ' 4' ' ' TYR . 18.5 m80 -135.04 50.68 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.82 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.7 mp -99.7 129.09 45.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.692 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -103.59 113.29 26.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.885 HD11 ' SG ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -99.72 150.33 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.715 179.769 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.545 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -104.83 123.15 47.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.987 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.758 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -116.67 110.72 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.859 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.594 ' C ' ' H ' ' A' ' 20' ' ' GLU . 1.2 m -148.86 135.11 19.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 68.04 -29.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.594 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -101.29 -63.61 1.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.646 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.893 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -111.25 150.63 29.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.58 -10.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.721 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.532 ' CE1' HG22 ' A' ' 57' ' ' THR . 2.2 m-30 -110.43 163.45 13.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.076 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.552 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 5.9 m -125.69 97.58 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.303 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.765 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 4.2 p90 -100.69 127.33 47.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.475 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.908 ' HB3' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -126.72 104.96 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.287 179.456 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.947 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 42.2 t90 -99.54 145.14 27.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.057 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.835 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -130.83 120.2 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.947 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 12.8 t-20 -100.03 110.18 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.747 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -79.85 11.06 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 mm -114.38 -53.06 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.655 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 1.0 OUTLIER -98.1 -15.89 19.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.655 ' HB3' ' O ' ' A' ' 32' ' ' SER . 26.0 t30 78.77 12.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.825 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 37.4 tt0 -87.87 132.86 34.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.796 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.651 ' HD3' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -124.8 140.86 52.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.048 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.765 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 8.5 m0 -106.94 78.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.784 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.015 HD23 ' O ' ' A' ' 4' ' ' TYR . 1.2 mp -99.95 106.9 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.15 -167.06 32.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.893 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 3.6 m -99.44 138.11 36.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 111.035 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.08 176.16 8.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.515 ' HB2' ' HZ2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -93.88 -53.29 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.816 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.1 p -110.08 140.73 43.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.783 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.0 t -62.87 147.63 49.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.789 ' O ' HG13 ' A' ' 46' ' ' ILE . 3.4 t -132.92 30.27 4.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.829 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.91 132.02 1.3 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.839 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 54.2 mt -134.35 87.25 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.2 84.27 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.459 ' OG1' ' HB ' ' A' ' 51' ' ' VAL . 48.8 p -105.45 -140.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.626 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.826 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -100.49 -35.6 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.826 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 1.6 p30 -118.01 -22.81 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.095 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.699 HG13 ' NE1' ' A' ' 27' ' ' TRP . 3.0 t -100.46 138.63 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.16 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -140.03 102.58 4.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.234 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.839 HD21 ' HB2' ' A' ' 27' ' ' TRP . 21.0 t-20 -110.5 132.26 54.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.335 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.782 ' O ' ' HE2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -134.95 123.51 23.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.207 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.74 155.46 17.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.77 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -145.64 169.23 18.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.944 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.532 HG22 ' CE1' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -134.91 24.03 3.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.674 ' OG1' ' SG ' ' A' ' 61' ' ' CYS . 25.6 p -124.64 154.41 40.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.8 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.643 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 4.8 t-20 -34.03 132.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.786 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.585 ' CD2' ' O ' ' A' ' 3' ' ' CYS . 8.7 mt 21.57 45.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.674 ' SG ' ' OG1' ' A' ' 58' ' ' THR . 7.9 t -64.24 0.65 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.781 ' OD1' ' HB3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -121.91 81.54 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.791 ' HE2' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.81 0.338 . . . . 0.0 111.112 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.927 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.7 mp0 -107.26 159.74 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 33.4 m -125.38 -173.11 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.858 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -126.17 105.6 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.715 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -95.17 173.73 7.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 14.9 t -127.21 118.09 23.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -73.57 -176.85 33.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.652 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.459 ' O ' HG22 ' A' ' 8' ' ' VAL . 4.7 p -63.0 -12.85 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 111.224 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -148.22 -12.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.679 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -112.32 147.36 18.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -129.35 26.51 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.858 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 30.0 m-70 -135.22 49.06 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.665 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.715 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.2 mp -99.71 132.14 45.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.184 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -99.8 115.95 30.74 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.046 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.692 ' CG1' ' N ' ' A' ' 16' ' ' THR . 0.7 OUTLIER -111.37 167.15 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.894 0.378 . . . . 0.0 111.0 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.927 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 1.3 m -118.45 116.28 26.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.635 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -80.87 147.32 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -81.18 167.43 19.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.003 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.39 -28.79 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' OE2' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -67.89 -48.17 66.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.635 ' HG3' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -105.92 123.35 47.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.657 ' O ' ' HE3' ' A' ' 1' ' ' MET . 0.6 OUTLIER -129.57 8.66 5.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 3.5 m-85 -104.48 153.19 21.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.791 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 17.6 m -120.1 102.51 8.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.662 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.656 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 17.3 p90 -102.1 132.33 48.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.889 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -128.31 101.72 6.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.509 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.939 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 46.2 t90 -101.88 144.36 30.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.714 HD12 ' H ' ' A' ' 29' ' ' ASN . 2.3 tp -134.52 135.36 42.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.939 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -113.46 119.32 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -83.83 3.85 31.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.744 HG13 HD22 ' A' ' 50' ' ' ASN . 20.7 mm -107.71 -59.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.1 t -95.6 2.28 54.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 29' ' ' ASN . 39.6 t30 56.21 18.55 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.668 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 3.5 mt-10 -81.75 136.24 35.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.51 120.48 35.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.045 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.777 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 7.7 m0 -99.92 77.58 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 4' ' ' TYR . 7.4 mp -100.74 137.67 38.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.73 -171.54 38.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.624 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 66.7 m -99.41 142.17 31.24 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.813 0.34 . . . . 0.0 110.782 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.693 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.78 161.56 37.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.493 ' H ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -83.68 -14.7 51.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.013 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -139.42 -154.67 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.981 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.421 ' N ' ' OG1' ' A' ' 42' ' ' THR . 32.3 t -129.49 138.47 51.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.824 ' O ' HG13 ' A' ' 46' ' ' ILE . 3.2 t -127.33 28.76 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.682 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -33.84 136.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.016 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.824 HG13 ' O ' ' A' ' 44' ' ' THR . 6.4 mt -140.29 84.87 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.202 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.62 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 1.1 p-10 -96.64 82.64 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.661 HG23 HG22 ' A' ' 46' ' ' ILE . 3.3 p -105.57 -142.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.667 ' CD2' ' OD1' ' A' ' 50' ' ' ASN . 3.9 p-90 -97.33 -31.75 12.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.042 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.744 HD22 HG13 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -120.51 -23.46 6.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.131 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.881 HG13 ' NE1' ' A' ' 27' ' ' TRP . 18.9 t -99.52 138.21 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.161 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -140.25 98.72 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.682 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 9.6 t-20 -113.53 132.25 55.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.484 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.793 ' HE3' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -134.0 128.97 35.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.307 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.51 148.38 25.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.034 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -135.73 158.52 44.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.814 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.7 p -111.78 -3.46 14.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.058 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.789 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -103.44 146.2 28.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.882 ' ND2' HD12 ' A' ' 60' ' ' LEU . 7.0 t30 -43.94 156.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.772 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.882 HD12 ' ND2' ' A' ' 59' ' ' ASN . 1.1 mt 21.57 53.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.789 ' HB2' ' O ' ' A' ' 58' ' ' THR . 7.3 t -96.58 35.35 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.889 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -148.34 98.98 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.775 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.839 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.4 mt-10 -118.97 143.58 46.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.854 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.9 m -109.17 -179.28 3.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.668 ' HB3' ' O ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -124.16 106.01 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.792 ' HG2' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -98.93 161.56 13.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 6.4 t -107.99 120.34 42.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.921 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -88.25 177.36 45.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.543 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.666 HG13 ' H ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -48.29 -62.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 111.123 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.666 ' H ' HG13 ' A' ' 8' ' ' VAL . 43.9 t -110.19 25.42 11.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.581 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -149.27 155.39 26.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -138.63 20.34 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 110.823 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.411 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 87.7 m-70 -129.73 50.6 2.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 13' ' ' LEU . 3.0 mp -99.41 127.11 45.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.808 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.659 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.62 116.23 31.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 -179.67 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.792 ' CG2' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -112.21 139.82 34.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.799 179.786 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.839 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 99.3 m -92.69 105.66 17.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.694 ' SG ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -69.25 131.14 44.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.93 163.72 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.39 -22.25 4.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.79 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.573 ' OE2' ' CD ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -69.77 -52.58 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.629 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 3.6 pt-20 -106.76 121.63 44.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.824 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.715 ' O ' ' HE3' ' A' ' 1' ' ' MET . 10.1 p -129.97 24.23 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.747 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 13.7 m-85 -108.9 152.12 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.958 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.75 97.71 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.54 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -100.81 123.91 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.495 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.936 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -119.47 101.73 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.085 179.367 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.029 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 55.2 t90 -99.55 144.94 28.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.093 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.113 HD13 ' CG ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -132.72 130.01 39.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.942 ' N ' HD12 ' A' ' 28' ' ' LEU . 23.9 t-20 -109.48 99.87 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -70.48 29.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.688 HG13 HD21 ' A' ' 50' ' ' ASN . 0.8 OUTLIER -119.38 -69.69 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.878 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 5.3 t -90.01 -16.77 29.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.878 ' HB3' ' O ' ' A' ' 32' ' ' SER . 6.2 t30 88.29 23.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.963 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.896 ' HG3' ' HZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -103.7 138.62 40.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 1.113 ' CG ' HD13 ' A' ' 28' ' ' LEU . 1.9 mtt180 -127.72 141.59 51.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.095 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.778 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 9.5 m0 -99.93 81.7 2.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.717 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.834 ' HG ' HD21 ' A' ' 62' ' ' ASN . 9.0 mp -99.9 122.59 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.54 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 174.8 -167.36 39.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.549 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.854 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 67.1 m -99.48 142.0 31.52 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.795 0.331 . . . . 0.0 110.819 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.747 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.04 162.09 36.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.573 ' CD ' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -77.64 -37.44 50.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.685 179.792 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -126.27 -175.15 3.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.601 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 27.0 t -100.35 143.7 30.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.73 ' O ' HG23 ' A' ' 44' ' ' THR . 1.4 t -131.55 37.78 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.645 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.794 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -44.93 132.74 6.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.931 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 67.5 mt -138.64 75.55 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.8 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.15 86.32 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.206 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 22.0 p -105.45 -127.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.628 ' CE3' ' OD1' ' A' ' 50' ' ' ASN . 2.3 p-90 -106.59 -44.82 4.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.574 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.688 HD21 HG13 ' A' ' 31' ' ' ILE . 19.0 p-10 -108.18 -21.91 12.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.829 HG13 ' HE1' ' A' ' 27' ' ' TRP . 64.9 t -100.02 141.06 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.389 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.439 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t80 -140.31 101.77 4.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 1.029 ' ND2' ' HB2' ' A' ' 27' ' ' TRP . 9.4 t-20 -112.96 123.1 49.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.389 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HD2' ' HE2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -129.23 124.06 33.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 111.472 -179.516 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.81 152.45 20.11 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.7 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.1 149.02 45.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.49 21.11 17.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.541 ' O ' ' HG3' ' A' ' 1' ' ' MET . 58.3 p -114.08 -153.11 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.734 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -100.07 158.5 15.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.592 ' C ' ' O ' ' A' ' 59' ' ' ASN . 12.3 mt 18.0 43.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.734 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -79.52 24.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.774 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.936 ' HA ' ' HD2' ' A' ' 26' ' ' LYS . 62.0 t-20 -137.43 49.72 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.91 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.859 ' HE1' ' SG ' ' A' ' 24' ' ' CYS . 14.7 tmm? . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.832 0.348 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.759 ' O ' ' SD ' ' A' ' 1' ' ' MET . 3.4 mp0 -109.78 132.75 53.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.5 m -105.33 -179.2 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.956 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.843 ' CE1' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -129.27 109.28 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.755 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.839 ' HE ' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -112.84 163.57 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 -179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 5.0 t -101.99 121.74 42.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.637 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.739 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -79.02 -159.12 14.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.666 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 9' ' ' SER . 3.8 p -62.74 -53.47 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.214 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.557 ' N ' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -120.63 -4.13 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -113.22 152.72 17.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -126.89 13.59 7.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.896 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -121.24 51.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.042 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.739 ' CD1' ' H ' ' A' ' 7' ' ' GLY . 4.6 mp -99.44 124.24 44.41 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.738 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.61 109.74 22.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.937 HG13 ' N ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -100.15 158.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.937 ' N ' HG13 ' A' ' 15' ' ' ILE . 16.0 m -111.62 122.08 46.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.836 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -88.98 155.75 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.612 ' HB2' ' HG3' ' A' ' 20' ' ' GLU . 2.5 m -101.9 157.77 16.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -27.39 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.612 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.0 OUTLIER -62.75 -53.18 58.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.836 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -104.29 121.3 43.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.449 ' O ' ' HE2' ' A' ' 1' ' ' MET . 13.6 t -135.04 0.68 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-30 -101.11 156.45 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.859 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 17.9 m -116.08 103.01 10.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.707 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.787 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 1.2 p90 -99.87 125.06 45.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.025 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.631 ' HD2' ' HB2' ' A' ' 62' ' ' ASN . 3.8 ptmt -124.52 97.67 5.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.938 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 21.4 t90 -104.82 147.19 27.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.721 HD13 ' CZ ' ' A' ' 35' ' ' ARG . 26.2 tp -135.72 138.54 42.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.066 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.938 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 9.2 t-20 -115.91 109.39 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -80.96 23.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -128.95 -36.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.293 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.798 ' HB3' ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -116.6 -7.23 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.1 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 72.3 10.99 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.817 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.876 ' HB3' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.05 149.26 43.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.663 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.721 ' CZ ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -139.76 116.98 11.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.866 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.853 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 8.4 m0 -99.6 72.02 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.755 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.635 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 7.4 mp -106.21 129.43 54.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.811 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.09 -158.68 31.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 74.4 m -99.67 138.24 37.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.953 0.406 . . . . 0.0 111.005 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.65 156.38 46.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.035 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.636 ' HE2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -81.31 -35.52 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -174.49 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.743 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 t -111.72 138.47 48.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.634 HG23 ' OD1' ' A' ' 53' ' ' ASN . 5.7 t -129.7 31.98 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.831 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.11 128.13 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.701 ' H ' ' HB3' ' A' ' 53' ' ' ASN . 7.1 mt -132.66 86.62 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -100.69 84.01 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.392 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.0 p -100.07 -132.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.8 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -109.16 -30.05 8.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 0.0 110.756 179.656 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.8 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 3.3 p30 -116.22 -27.26 6.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.029 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.809 HG13 ' CD1' ' A' ' 27' ' ' TRP . 2.2 t -103.57 140.06 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.447 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.53 ' OH ' ' HE2' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -140.16 105.35 5.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.237 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.831 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 9.7 t-20 -117.88 125.89 51.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.479 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.628 ' HD2' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -126.28 130.05 50.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.403 -179.493 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.74 143.64 29.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.661 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.21 171.19 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.459 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -136.05 22.72 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 1.017 HG23 ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -126.61 164.37 21.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.916 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.679 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -52.56 148.19 7.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.843 HD22 ' CE1' ' A' ' 4' ' ' TYR . 3.9 mt 18.3 47.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.721 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 1.017 ' SG ' HG23 ' A' ' 58' ' ' THR . 2.9 t -65.52 -22.36 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.202 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.742 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 20.0 p-10 -124.8 133.87 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.915 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.913 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.859 0.361 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.708 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -101.51 152.38 20.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.049 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.495 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 17.7 m -114.42 -172.31 2.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.767 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.902 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -127.05 101.44 6.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.867 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -95.89 168.22 10.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.787 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 10' ' ' GLY . 3.9 t -114.14 123.22 49.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.14 -129.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.27 -17.47 6.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 111.184 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -131.52 -0.28 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -147.09 170.88 27.91 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.491 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.507 ' O ' ' OXT' ' A' ' 63' ' ' THR . 0.0 OUTLIER -136.86 36.08 2.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.73 0.3 . . . . 0.0 110.877 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.635 ' C ' ' HE1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -133.72 52.71 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.759 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.753 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -99.42 127.64 45.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.643 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.725 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -100.41 112.17 24.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.907 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.867 ' CG2' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -112.24 163.16 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.276 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.801 ' O ' HD11 ' A' ' 15' ' ' ILE . 1.5 m -101.82 132.35 47.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.621 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 1.8 m -107.35 110.36 22.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.989 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.8 t -56.35 167.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.13 -22.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -49.46 45.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.815 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -107.15 115.99 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.536 ' O ' ' CE ' ' A' ' 1' ' ' MET . 0.4 OUTLIER -125.16 -4.76 7.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.802 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.696 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.9 m-85 -101.86 148.34 25.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.407 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 89.8 m -112.93 101.55 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 8.0 p90 -100.48 116.92 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.759 ' HG2' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -115.9 102.29 9.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.026 ' HB2' HD21 ' A' ' 53' ' ' ASN . 28.0 t90 -100.28 137.14 39.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tp -125.12 131.71 53.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 111.073 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.936 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 3.1 t-20 -112.08 115.61 29.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.984 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 1.76 29.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -103.52 -46.32 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.22 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -110.28 6.66 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' OD1' ' NH1' ' A' ' 35' ' ' ARG . 17.8 t-20 51.77 19.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.584 ' C ' ' HD3' ' A' ' 35' ' ' ARG . 3.5 tt0 -90.4 136.21 33.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.725 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.858 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -124.95 127.54 47.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 -179.7 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.727 ' CE3' ' CD2' ' A' ' 27' ' ' TRP . 12.8 m0 -101.6 85.11 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.655 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.902 HD23 ' O ' ' A' ' 4' ' ' TYR . 7.4 mp -105.72 114.78 29.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.991 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . -164.35 -178.1 37.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.366 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.815 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 4.0 m -99.32 130.28 45.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.884 0.373 . . . . 0.0 110.972 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.67 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -132.59 168.01 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.873 ' HZ2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -79.78 -40.15 29.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.757 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.471 ' HB ' ' H ' ' A' ' 43' ' ' CYS . 2.1 p -111.75 -154.81 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.839 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 4.4 t -117.96 145.27 44.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.725 HG23 ' OD1' ' A' ' 53' ' ' ASN . 6.8 t -125.77 30.01 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.77 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -46.57 130.64 11.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.702 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 9.2 mt -136.89 84.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.99 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -94.87 91.82 6.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.461 ' OG1' ' HB ' ' A' ' 51' ' ' VAL . 49.2 p -112.37 -133.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.495 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.814 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -104.82 -40.35 5.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.734 179.685 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.814 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 3.2 p30 -112.87 -22.14 10.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.809 HG13 ' CD1' ' A' ' 27' ' ' TRP . 13.6 t -100.68 136.33 32.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.578 ' HE2' ' HE2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -139.97 99.14 3.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 1.026 HD21 ' HB2' ' A' ' 27' ' ' TRP . 24.0 t-20 -110.6 129.71 55.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HD2' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -126.91 126.59 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.526 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.6 m -99.92 143.68 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.112 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.32 172.74 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.571 HG22 ' CE2' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -140.03 14.94 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.129 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.643 ' O ' ' SD ' ' A' ' 1' ' ' MET . 41.0 p -108.02 -151.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.913 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 27.0 t30 -99.01 147.61 24.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.997 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 59' ' ' ASN . 1.2 mt 17.35 46.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.696 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.6 OUTLIER -78.55 4.17 14.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.678 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.759 ' OD1' ' HG2' ' A' ' 26' ' ' LYS . 1.2 m-20 -99.9 -157.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.999 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.669 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.666 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.675 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 18.9 mp0 -121.15 164.91 16.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.692 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.8 m -135.32 -169.56 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.907 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -131.27 109.84 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 1.01 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.75 167.79 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 2.9 t -114.74 135.36 54.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.64 -170.1 16.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.54 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 8' ' ' VAL . 0.2 OUTLIER -54.06 -72.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 0.0 111.103 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' A' ' 9' ' ' SER . 2.8 t -111.15 16.34 21.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.593 ' O ' HD11 ' A' ' 13' ' ' LEU . . . -140.95 109.92 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.441 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 1.8 t -104.36 25.1 10.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.907 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 9.2 m80 -121.6 50.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.01 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.1 mp -99.85 138.84 36.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.629 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -102.67 115.95 31.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.603 HG13 ' N ' ' A' ' 16' ' ' THR . 0.1 OUTLIER -101.57 157.58 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.02 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.675 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 62.1 m -112.44 107.55 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.64 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -108.75 119.76 40.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.021 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.735 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -165.0 118.69 1.26 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.795 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 94.93 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.553 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -100.94 -64.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.453 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.931 ' HB2' ' HB2' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -107.44 139.0 42.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 179.51 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.77 -6.58 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.094 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.881 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.0 m-30 -104.76 152.49 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.29 95.49 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.414 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.698 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -99.52 135.1 41.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 0.0 111.27 -179.457 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.841 ' HD2' ' CB ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -131.24 98.69 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.575 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.924 ' HB3' ' HB2' ' A' ' 36' ' ' TRP . 41.9 t90 -99.78 145.23 27.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.125 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.028 HD12 ' HG2' ' A' ' 35' ' ' ARG . 17.3 tp -131.96 128.26 38.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.068 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.895 HD21 ' HZ2' ' A' ' 27' ' ' TRP . 9.0 t-20 -106.28 108.4 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.687 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 50' ' ' ASN . 7.2 mtpt -74.82 15.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.2 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.782 HG12 ' OD1' ' A' ' 50' ' ' ASN . 41.0 mm -119.51 -51.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.46 8.44 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.733 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.586 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 2.1 t30 55.38 11.88 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.786 ' HB3' ' CZ3' ' A' ' 27' ' ' TRP . 2.3 tt0 -70.41 126.1 28.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 1.028 ' HG2' HD12 ' A' ' 28' ' ' LEU . 51.4 mtt180 -119.13 126.35 51.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.28 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.924 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 6.1 m0 -99.93 80.87 2.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.949 HD23 HD21 ' A' ' 62' ' ' ASN . 4.1 mp -103.53 125.01 49.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.005 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.698 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 166.97 -175.28 42.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.496 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.931 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.29 124.61 44.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.807 0.337 . . . . 0.0 110.988 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -119.36 172.75 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.553 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -68.77 -58.26 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.73 -157.23 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.766 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.5 t -108.07 148.29 30.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.772 ' O ' HG23 ' A' ' 44' ' ' THR . 1.3 t -139.04 39.84 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.824 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -46.65 136.27 7.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.717 HG21 HG11 ' A' ' 51' ' ' VAL . 20.6 mt -139.04 90.57 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.19 80.8 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.555 HG23 HG22 ' A' ' 46' ' ' ILE . 16.1 p -101.31 -136.17 0.32 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.479 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.61 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -97.6 -46.15 6.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.895 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.782 ' OD1' HG12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -113.42 -18.42 12.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.365 -179.555 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.878 HG13 ' NE1' ' A' ' 27' ' ' TRP . 4.4 t -100.21 127.66 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.763 0.316 . . . . 0.0 111.165 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.49 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 4.5 t80 -132.44 103.81 6.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.87 HD21 ' HB2' ' A' ' 27' ' ' TRP . 17.5 t-20 -111.65 128.9 56.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.27 126.37 38.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.27 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.66 150.57 22.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.25 172.74 12.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -140.0 24.23 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -126.59 158.1 37.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.593 ' O ' ' C ' ' A' ' 60' ' ' LEU . 47.9 t30 -41.93 142.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.593 ' C ' ' O ' ' A' ' 59' ' ' ASN . 38.3 mt 19.57 61.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.939 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 58' ' ' THR . 1.9 t -85.78 8.2 20.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.884 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.949 HD21 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -133.31 106.37 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.966 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.754 ' SD ' ' O ' ' A' ' 58' ' ' THR . 33.2 ttp . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.7 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 2.2 tt0 -124.01 128.3 49.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 72.2 m -103.62 -177.88 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.868 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -123.84 105.9 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.141 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.858 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 2.7 ptt180 -98.19 163.25 12.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.679 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.575 ' SG ' ' NH1' ' A' ' 35' ' ' ARG . 5.4 t -107.4 115.48 30.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.904 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.758 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -68.21 -154.79 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.508 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.47 -29.21 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.332 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 t -128.36 7.78 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.42 165.12 27.56 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.579 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -134.75 25.53 3.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.743 0.306 . . . . 0.0 110.79 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.868 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 91.0 m-70 -130.47 50.26 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.168 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.758 ' CD1' ' H ' ' A' ' 7' ' ' GLY . 1.8 mp -99.71 127.89 45.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HG3' ' HG2' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -99.59 118.26 35.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.778 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.858 ' HB ' ' NE ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -120.81 148.42 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.249 -179.787 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.453 ' N ' HG12 ' A' ' 15' ' ' ILE . 17.7 m -95.76 132.14 41.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.6 m -82.11 156.15 24.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.3 m -86.62 169.74 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.52 -17.48 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -38.75 16.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.463 ' H ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -107.65 126.08 52.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.597 ' O ' ' HE2' ' A' ' 1' ' ' MET . 81.3 p -134.44 8.1 3.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.451 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.521 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 6.9 m-85 -106.6 154.23 21.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.026 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.613 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 48.5 m -117.31 101.32 8.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.304 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.613 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -103.45 133.38 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.426 . . . . 0.0 111.609 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -127.12 100.73 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.144 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.147 ' HB2' HD21 ' A' ' 53' ' ' ASN . 60.1 t90 -99.79 142.76 30.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.266 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.009 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -135.53 129.98 33.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.773 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 1.009 ' N ' HD12 ' A' ' 28' ' ' LEU . 22.9 t-20 -108.93 119.47 39.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.018 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -76.73 -10.36 59.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.848 HD12 ' N ' ' A' ' 31' ' ' ILE . 1.1 mp -100.54 -50.02 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.981 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.733 ' O ' ' N ' ' A' ' 34' ' ' GLU . 40.5 t -98.08 11.85 36.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.694 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.479 ' HA ' ' O ' ' A' ' 29' ' ' ASN . 6.9 t30 37.51 15.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.052 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.733 ' N ' ' O ' ' A' ' 32' ' ' SER . 1.5 tp10 -85.99 136.41 33.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.575 ' NH1' ' SG ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -122.25 126.18 47.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.191 -179.788 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.722 ' CE3' ' CD2' ' A' ' 27' ' ' TRP . 13.8 m0 -99.84 84.17 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.671 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 11.2 mp -101.46 125.63 48.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.613 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 172.66 -168.41 41.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.623 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 77.4 m -99.46 142.71 30.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.819 0.343 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.26 161.06 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.865 ' HE3' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -79.45 -27.07 41.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.585 HG23 ' NZ ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -134.5 -176.3 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.57 179.811 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.482 ' N ' ' OG1' ' A' ' 42' ' ' THR . 26.7 t -102.49 149.69 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.973 0.416 . . . . 0.0 111.139 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.813 ' O ' HG13 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -134.75 37.2 3.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.617 179.78 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.07 130.68 4.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.071 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.956 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 14.2 mt -140.25 76.91 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.069 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 7.7 p-10 -93.83 90.02 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.1 p -108.51 -134.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.821 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -103.41 -31.27 10.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.821 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -120.57 -26.88 5.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.248 -179.647 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 46' ' ' ILE . 3.4 t -99.63 143.93 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.362 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -140.3 106.39 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.264 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 1.147 HD21 ' HB2' ' A' ' 27' ' ' TRP . 7.0 t-20 -113.02 122.41 47.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.243 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.654 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -130.21 124.26 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.995 0.426 . . . . 0.0 111.824 -179.301 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.654 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -105.61 151.34 24.48 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.624 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.94 146.18 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 111.142 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -101.09 9.25 42.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.754 ' O ' ' SD ' ' A' ' 1' ' ' MET . 1.5 p -107.68 -179.26 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.812 ' OD1' HD12 ' A' ' 60' ' ' LEU . 20.7 t-20 -70.87 151.22 44.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.812 HD12 ' OD1' ' A' ' 59' ' ' ASN . 0.7 OUTLIER 12.51 50.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.314 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.734 ' N ' ' O ' ' A' ' 59' ' ' ASN . 39.0 t -73.1 7.78 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 0.0 110.646 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.487 ' OD1' ' C ' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -125.13 119.61 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.81 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.774 ' HE2' ' C ' ' A' ' 22' ' ' THR . 1.3 ttp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -122.81 144.39 49.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.552 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 1.8 m -113.89 -175.57 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.723 ' OH ' ' ND1' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -126.63 106.9 9.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.779 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.94 154.68 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.52 114.59 28.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.595 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -68.91 -133.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.583 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.85 -36.11 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.845 0.355 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -126.54 2.87 6.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.79 144.59 16.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.602 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.2 38.32 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.776 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.723 ' ND1' ' OH ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -139.54 49.3 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.765 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.779 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.6 mp -99.56 131.88 45.27 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.65 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.79 117.1 33.39 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.732 ' CG2' ' HD3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -114.3 154.58 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.644 ' N ' HG12 ' A' ' 15' ' ' ILE . 30.0 m -102.06 114.77 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.557 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 1.9 m -89.39 120.79 31.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -175.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.38 -10.33 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.088 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -49.35 15.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -105.09 128.28 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.774 ' C ' ' HE2' ' A' ' 1' ' ' MET . 0.1 OUTLIER -131.9 -7.91 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.153 -179.711 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.695 ' CE1' HG22 ' A' ' 57' ' ' THR . 3.6 m-30 -100.39 147.04 26.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.962 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.647 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . 6.3 m -113.21 103.98 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.764 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.7 OUTLIER -100.42 125.26 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 1.006 ' HB2' ' HB2' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -123.55 101.65 7.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.045 ' HB2' HD21 ' A' ' 53' ' ' ASN . 63.2 t90 -100.0 139.4 35.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.01 HD13 ' HD2' ' A' ' 35' ' ' ARG . 2.0 tp -130.36 127.62 39.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.883 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.914 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 8.4 t-20 -105.22 115.66 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.3 mtpt -87.77 19.91 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.523 ' HB ' HD21 ' A' ' 29' ' ' ASN . 17.4 mm -113.1 -44.32 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.223 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.611 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 11.0 t -117.52 -21.44 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.611 ' CB ' ' O ' ' A' ' 32' ' ' SER . 30.3 t-20 93.07 18.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.674 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -88.14 131.3 34.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.827 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 1.01 ' HD2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -122.66 134.53 54.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.99 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.764 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 10.6 m0 -108.14 84.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.681 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.88 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 11.0 mp -103.81 130.99 51.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.003 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.48 -173.81 46.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 1.7 m -99.35 135.14 41.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 111.055 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.667 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -136.37 171.25 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.022 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.465 ' H ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -86.95 -41.48 13.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -113.64 -158.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.5 ' N ' ' OG1' ' A' ' 42' ' ' THR . 31.8 t -118.84 151.04 38.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.78 ' O ' HG13 ' A' ' 46' ' ' ILE . 2.8 t -135.37 24.86 3.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.686 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.777 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.83 132.42 0.33 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.78 HG13 ' O ' ' A' ' 44' ' ' THR . 5.8 mt -138.9 74.63 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.428 ' OD2' ' OE2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -92.92 104.68 16.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.328 -179.697 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 p -126.23 -127.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.318 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.641 ' CE3' ' OD1' ' A' ' 50' ' ' ASN . 0.4 OUTLIER -111.52 -26.41 9.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.705 179.78 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.641 ' OD1' ' CE3' ' A' ' 49' ' ' TRP . 5.8 p-10 -124.25 -30.64 3.41 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.844 HG13 ' HE1' ' A' ' 27' ' ' TRP . 34.1 t -102.79 123.33 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.156 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.571 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -127.27 104.25 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.225 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 1.045 HD21 ' HB2' ' A' ' 27' ' ' TRP . 17.4 t-20 -112.44 132.92 54.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.241 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.776 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.5 OUTLIER -134.13 125.08 27.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.39 . . . . 0.0 111.783 -179.349 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.776 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -100.48 149.95 23.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.44 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.02 170.48 15.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.882 0.372 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.695 HG22 ' CE1' ' A' ' 23' ' ' PHE . 1.5 p -138.16 21.98 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.831 HG23 ' H ' ' A' ' 59' ' ' ASN . 13.5 t -110.18 -127.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.831 ' H ' HG23 ' A' ' 58' ' ' THR . 6.5 t-20 -118.96 136.32 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.708 ' O ' HG22 ' A' ' 63' ' ' THR . 57.9 mt 20.24 41.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.034 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.737 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.4 OUTLIER -64.84 -30.81 71.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.73 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 1.006 ' HB2' ' HB2' ' A' ' 26' ' ' LYS . 21.7 p-10 -97.32 76.99 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.444 ' HG2' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.741 0.305 . . . . 0.0 111.187 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.552 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -100.1 141.18 33.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.0 m -114.27 -179.01 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.783 ' HB2' ' O ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -114.56 101.97 9.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.619 179.825 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.923 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -101.49 -169.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 -179.746 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.676 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 2.4 t -123.28 119.64 30.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.07 -145.35 1.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.748 HG13 ' N ' ' A' ' 9' ' ' SER . 9.1 p -73.73 -57.37 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.748 ' N ' HG13 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -118.38 5.59 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -120.15 169.14 13.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.409 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.676 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -139.54 4.71 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 111.223 -179.824 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.451 ' C ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -111.81 48.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.998 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.923 ' HB2' ' HD3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -99.49 129.73 45.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.831 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.828 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -99.57 106.81 18.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.014 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.573 HG12 ' N ' ' A' ' 16' ' ' THR . 2.6 tt -101.87 161.34 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.573 ' N ' HG12 ' A' ' 15' ' ' ILE . 1.8 m -111.96 117.79 33.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.544 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -118.58 137.76 53.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.735 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -166.98 137.9 3.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.126 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 95.26 -41.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.043 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.758 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -110.39 -59.7 1.91 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.838 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.36 141.42 35.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.798 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.07 -12.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 7.8 m-85 -105.18 143.79 32.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.0 m -106.76 97.42 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.712 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -99.66 133.93 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.317 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.894 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 1.2 ptmt -132.15 104.6 6.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.726 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.978 ' NE1' HG13 ' A' ' 51' ' ' VAL . 16.6 t90 -99.68 140.96 33.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.757 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.511 HD12 ' H ' ' A' ' 29' ' ' ASN . 19.9 tp -128.54 134.72 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.366 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.932 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 49.5 t30 -112.84 116.8 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.831 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' HB3' ' HE2' ' A' ' 30' ' ' LYS . 14.6 mtpt -86.43 13.79 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.062 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mm -117.61 -34.88 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.473 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.753 ' HB2' ' ND2' ' A' ' 29' ' ' ASN . 0.6 OUTLIER -122.54 -3.67 8.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.8 t30 67.22 16.68 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.758 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.734 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 0.1 OUTLIER -81.69 129.8 34.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.517 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 13.9 mtm180 -122.84 120.37 33.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.773 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 11.6 m0 -99.82 83.79 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.853 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 10.9 mp -104.83 135.66 45.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.29 -175.13 44.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.429 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.838 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.38 124.53 44.58 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.977 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.86 170.75 9.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.758 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -85.44 -31.67 22.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.736 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.13 -163.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.694 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.1 t -122.37 136.76 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.781 ' O ' HG23 ' A' ' 44' ' ' THR . 0.9 OUTLIER -126.98 37.77 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.883 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -37.03 136.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.916 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 4.8 mt -136.11 78.33 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.058 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.55 79.89 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.024 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' HB ' ' A' ' 51' ' ' VAL . 9.0 p -105.85 -134.69 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.697 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.785 ' CH2' ' ND2' ' A' ' 50' ' ' ASN . 1.0 OUTLIER -101.96 -42.29 6.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.711 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.785 ' ND2' ' CH2' ' A' ' 49' ' ' TRP . 2.6 p30 -109.62 -24.22 11.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.978 HG13 ' NE1' ' A' ' 27' ' ' TRP . 99.0 t -99.66 138.35 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.051 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' O ' ' CG ' ' A' ' 52' ' ' TYR . 4.5 t80 -139.47 94.17 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.916 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 7.7 t-20 -103.95 125.96 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.618 ' HD3' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -131.92 122.35 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.281 -179.615 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.618 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 1.8 m -99.86 147.2 25.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.807 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -133.95 156.01 48.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.0 p -121.48 12.78 10.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.586 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -120.99 145.22 47.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.608 ' O ' ' C ' ' A' ' 60' ' ' LEU . 12.6 t30 -37.7 149.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.696 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.795 HD11 ' HE2' ' A' ' 14' ' ' LYS . 61.0 mt 18.19 56.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.763 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.586 ' HB2' ' O ' ' A' ' 58' ' ' THR . 43.6 t -92.3 -22.4 19.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.903 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.894 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 1.8 p-10 -102.92 117.25 34.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.718 HG23 ' OXT' ' A' ' 63' ' ' THR . 13.9 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.758 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.862 0.363 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.659 ' CD ' ' HB2' ' A' ' 14' ' ' LYS . 32.9 tt0 -107.68 140.45 40.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.771 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 m -116.59 170.09 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.976 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -110.17 99.02 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.931 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -101.43 -161.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.616 ' C ' HD13 ' A' ' 13' ' ' LEU . 1.8 t -126.67 159.4 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.486 ' N ' HD13 ' A' ' 13' ' ' LEU . . . -113.77 -106.56 2.73 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.441 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -130.06 -35.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -122.6 -13.63 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.77 148.8 18.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.332 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.45 41.29 2.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.372 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -139.23 52.17 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.616 HD13 ' C ' ' A' ' 6' ' ' CYS . 4.6 mp -99.41 127.24 45.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HB2' ' CD ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -98.91 102.21 13.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.058 -179.5 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.585 HG22 ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -110.89 121.08 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 2' ' ' GLU . 3.4 m -89.82 125.58 35.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.758 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -47.65 169.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.518 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -92.83 39.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 72.34 -25.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.202 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -66.79 -48.43 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.61 ' HB3' ' C ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -102.01 155.01 18.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.71 ' C ' ' HE2' ' A' ' 1' ' ' MET . 65.8 p -138.63 3.56 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.563 ' CD2' ' O ' ' A' ' 56' ' ' CYS . 9.0 m-85 -99.81 150.38 22.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.601 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 17.2 m -113.49 102.78 10.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.454 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.659 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 5.8 p90 -99.87 128.54 45.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.213 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 1.013 ' HD2' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -126.18 99.16 5.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.418 179.698 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.994 ' HB2' HD21 ' A' ' 53' ' ' ASN . 45.8 t90 -103.56 147.43 27.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.034 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' ' 35' ' ' ARG . 19.8 tp -139.82 133.5 30.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.936 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 6.5 t-20 -112.23 105.4 13.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 2.67 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mm -100.03 -55.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.569 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 8.5 t -91.2 -26.46 19.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.722 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 32' ' ' SER . 7.9 t30 88.82 10.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.699 ' OE1' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -96.17 143.93 26.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.795 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.699 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -127.74 142.86 51.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.987 0.422 . . . . 0.0 111.106 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.68 ' CE3' ' CD2' ' A' ' 27' ' ' TRP . 9.4 m0 -106.3 84.82 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.62 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.976 HD23 ' O ' ' A' ' 4' ' ' TYR . 11.1 mp -104.66 127.54 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.056 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' C ' ' CE1' ' A' ' 25' ' ' TYR . . . 169.98 -161.68 34.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 19.9 m -99.68 147.31 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.61 ' C ' ' HB3' ' A' ' 21' ' ' GLU . . . -140.98 160.56 39.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.22 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.883 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -89.17 -25.22 21.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.485 ' HB ' ' H ' ' A' ' 43' ' ' CYS . 0.6 OUTLIER -128.77 -154.28 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.559 179.749 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.485 ' H ' ' HB ' ' A' ' 42' ' ' THR . 28.0 t -122.04 138.09 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.059 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.653 HG23 ' CG ' ' A' ' 53' ' ' ASN . 6.5 t -124.91 30.61 5.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.637 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -45.63 128.89 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.896 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.639 HG21 HG11 ' A' ' 51' ' ' VAL . 4.7 mt -138.62 82.75 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.992 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -95.32 92.99 7.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.4 p -118.18 -131.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.476 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.829 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -107.76 -36.18 6.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.941 179.85 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.829 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -115.56 -23.44 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.184 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.965 HG13 ' HE1' ' A' ' 27' ' ' TRP . 51.4 t -104.33 126.56 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.364 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -130.95 101.71 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.002 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.994 HD21 ' HB2' ' A' ' 27' ' ' TRP . 26.0 t-20 -117.08 127.66 54.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.508 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 1.013 ' HD3' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -125.85 128.3 47.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 111.365 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -99.84 141.81 32.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.666 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.563 ' O ' ' CD2' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -131.88 175.23 9.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.958 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.486 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.5 OUTLIER -139.99 16.2 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.299 -179.624 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.62 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 81.4 p -126.27 151.92 46.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.922 0.391 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.726 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 0.1 OUTLIER -40.83 149.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.608 ' C ' ' O ' ' A' ' 59' ' ' ASN . 60.7 mt 17.52 59.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 58' ' ' THR . 9.1 t -81.99 -1.42 48.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.797 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -129.51 128.3 42.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.774 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.643 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 2.2 ttt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.886 0.374 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.863 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -103.92 154.9 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 1.8 m -112.86 -172.61 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.594 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.827 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -138.12 115.56 11.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.47 179.748 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.982 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -111.09 171.66 7.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 -179.664 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 1.8 t -112.37 130.8 55.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -89.47 -172.07 45.45 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.403 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.76 HG13 ' N ' ' A' ' 9' ' ' SER . 13.1 p -45.78 -60.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.76 ' N ' HG13 ' A' ' 8' ' ' VAL . 2.1 t -125.32 26.35 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.795 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -138.73 157.99 24.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -137.5 24.97 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.874 -179.856 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -120.79 46.26 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.602 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 1.8 mp -99.67 119.64 38.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.692 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HA ' ' HD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -98.64 111.33 23.73 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 -179.39 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.868 ' CG2' ' HD2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -104.43 169.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.601 ' N ' ' CG1' ' A' ' 15' ' ' ILE . 3.2 m -125.46 116.33 21.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -79.28 175.31 10.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.628 ' O ' ' N ' ' A' ' 20' ' ' GLU . 56.0 m -126.71 161.51 27.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -31.27 -30.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.633 ' OE1' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -65.52 -50.9 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.702 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -109.65 133.93 52.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.553 ' O ' ' CE ' ' A' ' 1' ' ' MET . 17.1 p -135.95 -2.99 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.73 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.749 ' HE1' HG22 ' A' ' 57' ' ' THR . 1.2 m-85 -100.48 148.05 25.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.982 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.643 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 5.7 m -118.0 97.07 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.366 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.596 ' H ' ' HD1' ' A' ' 25' ' ' TYR . 0.7 OUTLIER -99.76 133.39 44.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.065 0.459 . . . . 0.0 111.382 -179.51 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.897 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -125.83 103.7 7.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.47 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.015 ' NE1' HG13 ' A' ' 51' ' ' VAL . 12.2 t90 -106.49 146.93 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.601 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 18.6 tp -138.07 135.59 35.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.965 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 48.2 t-20 -114.5 97.37 6.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.035 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.559 ' HZ3' ' HB2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -61.61 11.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.845 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.612 ' H ' ' C ' ' A' ' 29' ' ' ASN . 13.8 mm -116.02 -53.83 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.524 ' H ' ' CG ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -95.65 5.61 51.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t30 52.88 9.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 28.9 tt0 -86.1 138.23 32.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.601 ' HG2' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.08 129.01 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.813 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 13.2 m0 -99.99 83.42 2.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.982 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 5.7 mp -105.62 117.28 33.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.492 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . -179.37 -171.86 42.91 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.596 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.9 m -99.5 140.66 33.36 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.0 111.017 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -138.34 165.03 27.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.633 ' HD2' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -75.14 -24.55 57.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.51 ' CA ' ' HD2' ' A' ' 23' ' ' PHE . 10.7 p -136.9 -155.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 7.6 t -111.74 149.85 31.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.824 ' O ' HG13 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -130.42 26.25 5.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.719 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -41.4 132.35 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.824 HG13 ' O ' ' A' ' 44' ' ' THR . 15.9 mt -140.16 98.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.251 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.01 103.65 15.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.652 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -129.51 -149.6 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.397 179.758 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.83 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 1.5 p-90 -96.73 -26.4 15.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 0.0 110.793 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.83 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 1.3 p30 -128.48 -18.88 3.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.015 HG13 ' NE1' ' A' ' 27' ' ' TRP . 52.7 t -107.0 117.48 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.504 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' A' ' 46' ' ' ILE . 2.0 t80 -127.37 108.74 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.79 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.776 HD21 ' HB2' ' A' ' 27' ' ' TRP . 26.4 t-20 -117.67 131.48 56.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.476 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.576 ' HD2' ' HD2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -129.27 124.87 35.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 111.247 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.513 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.6 m -99.32 148.08 24.53 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.773 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -137.04 159.91 40.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.094 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.749 HG22 ' HE1' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -121.01 30.37 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.631 ' OG1' ' HB2' ' A' ' 61' ' ' CYS . 4.2 p -132.85 167.81 19.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.75 ' OD1' HD12 ' A' ' 60' ' ' LEU . 1.3 t-20 -51.33 140.65 16.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.75 HD12 ' OD1' ' A' ' 59' ' ' ASN . 1.2 mp 18.83 42.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.734 ' N ' ' O ' ' A' ' 59' ' ' ASN . 8.6 t -64.86 -13.36 56.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.717 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.897 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 17.1 p-10 -111.86 76.46 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.655 HG22 ' CD2' ' A' ' 4' ' ' TYR . 62.7 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.625 ' SD ' ' O ' ' A' ' 22' ' ' THR . 15.5 ttp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.82 0.343 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.871 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -136.85 153.35 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 10.8 m -131.51 178.19 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.727 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -128.79 106.91 9.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.793 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.784 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -95.53 174.56 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.997 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -114.36 154.59 27.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.04 -170.99 12.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.449 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.31 3.39 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 111.194 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 t -147.47 -20.89 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.802 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.751 ' O ' HD11 ' A' ' 13' ' ' LEU . . . -145.84 125.19 2.23 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.551 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t -100.04 36.4 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 110.783 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.727 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -137.01 52.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.875 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.751 HD11 ' O ' ' A' ' 10' ' ' GLY . 3.4 mp -99.2 125.39 44.77 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.647 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.664 ' HB2' ' OE1' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -98.91 115.92 29.96 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.248 -179.317 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.871 ' O ' ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -109.73 148.51 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.728 179.643 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.669 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -105.41 118.43 36.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.154 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 21.5 p -112.7 116.86 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.706 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.729 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -152.7 134.19 14.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 94.25 -40.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -59.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.776 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.845 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -111.27 132.08 54.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.625 ' O ' ' SD ' ' A' ' 1' ' ' MET . 1.3 p -128.09 -5.29 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.017 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.786 ' CE2' HG22 ' A' ' 57' ' ' THR . 9.3 m-85 -101.48 162.54 12.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.593 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -122.24 99.38 6.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.481 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.656 ' HE1' ' CB ' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -102.45 135.85 43.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.269 -179.537 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.39 105.63 8.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.948 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 31.9 t90 -103.81 147.03 27.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.678 HD12 ' N ' ' A' ' 29' ' ' ASN . 3.3 tp -138.35 130.28 28.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 111.097 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.948 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 62.0 t-20 -108.83 109.57 20.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.678 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 1.6 mtmt -76.85 12.99 1.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.012 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.523 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 13.2 mm -114.36 -47.09 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.0 15.62 22.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.099 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 45.47 23.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.584 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 1.3 mt-10 -104.78 130.06 52.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.717 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.645 ' HA ' ' CE3' ' A' ' 27' ' ' TRP . 1.2 ptt180 -128.97 148.65 50.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.293 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.739 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 7.4 m0 -107.13 94.0 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.696 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.921 ' CD2' HD22 ' A' ' 62' ' ' ASN . 4.3 mp -104.47 118.75 37.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.83 -164.44 37.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.542 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 12.5 m -99.8 151.61 21.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.649 ' HB2' ' HD2' ' A' ' 25' ' ' TYR . . . -140.83 160.65 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.224 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.921 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.29 -25.19 46.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.062 0.458 . . . . 0.0 110.286 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.7 p -140.01 -168.5 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.397 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.81 137.69 38.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.935 0.397 . . . . 0.0 110.997 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.831 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -123.88 29.66 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.815 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.755 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -40.95 132.99 2.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.818 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 40.5 mt -140.28 86.67 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.15 84.85 3.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -100.92 -143.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.823 ' CZ3' ' ND2' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -106.34 -18.77 13.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.704 179.753 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.823 ' ND2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -125.17 -29.92 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.76 HG11 ' HE1' ' A' ' 27' ' ' TRP . 2.5 t -106.83 146.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.98 0.419 . . . . 0.0 111.391 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -140.33 113.23 8.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.818 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -117.25 130.39 56.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.417 179.798 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.87 126.9 35.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.961 0.41 . . . . 0.0 111.582 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.44 150.48 22.59 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.55 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.572 ' SG ' HG23 ' A' ' 58' ' ' THR . 0.1 OUTLIER -145.32 177.47 8.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.988 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.786 HG22 ' CE2' ' A' ' 23' ' ' PHE . 10.5 p -135.84 37.14 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.648 ' OG1' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -124.14 172.8 8.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.592 ' O ' ' N ' ' A' ' 61' ' ' CYS . 63.8 t30 -76.96 150.07 35.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.644 HD21 ' OE1' ' A' ' 2' ' ' GLU . 64.0 mt 21.07 47.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.648 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 1.9 p -81.99 -13.27 57.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.921 HD22 ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -97.1 97.77 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.017 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.82 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tmm? . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.796 0.331 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.49 144.16 43.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -118.97 -175.57 2.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.995 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.803 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -124.4 102.67 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.924 ' HG2' HG22 ' A' ' 15' ' ' ILE . 5.8 ptt180 -95.48 171.93 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 t -119.53 115.7 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.13 -135.32 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.75 -13.75 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.358 . . . . 0.0 111.038 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.9 t -142.9 -16.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.41 153.8 17.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.382 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.68 28.09 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.803 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -131.99 47.93 2.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 4' ' ' TYR . 4.9 mp -99.54 131.36 45.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.012 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.825 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.57 105.75 17.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.924 HG22 ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -101.69 169.62 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.814 ' H ' HG12 ' A' ' 15' ' ' ILE . 3.9 m -115.82 116.38 27.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.15 112.08 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -48.2 165.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.736 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.83 -8.88 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.873 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.76 -45.53 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.8 127.53 51.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.43 1.4 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.725 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-85 -102.86 147.16 27.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -116.43 100.91 8.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.424 179.649 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.845 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -99.55 132.46 44.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.461 -179.498 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.913 ' HD3' ' HD2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -129.47 98.93 5.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.351 179.53 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.92 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 40.8 t90 -99.46 137.89 37.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.926 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.5 OUTLIER -123.82 130.13 52.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.054 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.926 ' N ' HD12 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -109.53 92.49 4.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 25.1 mtpt -64.89 19.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.032 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.615 ' H ' ' C ' ' A' ' 29' ' ' ASN . 11.2 mm -118.7 -53.78 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -106.49 25.75 10.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' SER . 8.1 t-20 37.38 30.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.771 ' HG2' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -113.32 135.24 54.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.645 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.704 ' HG3' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -129.51 144.18 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.918 0.39 . . . . 0.0 111.225 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.845 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 7.4 m0 -101.99 88.3 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.635 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.704 HD13 ' HG3' ' A' ' 35' ' ' ARG . 7.2 mp -101.17 129.33 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.672 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 167.79 -176.54 42.42 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.428 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.638 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 1.7 m -99.51 140.83 33.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.868 0.365 . . . . 0.0 111.105 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.725 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.98 176.27 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.065 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.873 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -82.58 -58.11 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.9 p -104.51 -172.0 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.7 t -109.75 149.16 30.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.033 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.831 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -138.57 33.23 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.874 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -35.8 132.8 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.722 HG13 ' O ' ' A' ' 44' ' ' THR . 18.5 mt -135.01 78.28 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.72 80.5 3.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.3 p -99.8 -132.81 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.764 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.673 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 1.1 p-90 -102.04 -36.24 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.164 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.864 HD22 ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -114.57 -29.29 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.418 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.78 HG13 ' CD1' ' A' ' 27' ' ' TRP . 4.2 t -99.5 140.37 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.931 0.396 . . . . 0.0 111.355 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.627 ' OH ' ' HE2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -140.17 97.48 3.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.995 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.874 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 60.2 t30 -107.87 131.93 53.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.476 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.913 ' HD2' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -134.86 128.54 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 111.378 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.22 149.71 23.72 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.49 160.64 38.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.965 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.3 p -119.46 10.46 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.428 ' HB ' ' H ' ' A' ' 59' ' ' ASN . 36.5 p -107.18 -161.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.719 ' O ' ' N ' ' A' ' 61' ' ' CYS . 18.8 t-20 -87.42 159.22 18.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.66 HD22 ' HD1' ' A' ' 4' ' ' TYR . 6.3 mt 13.27 51.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.719 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.9 OUTLIER -80.88 -3.87 52.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.775 ' OD1' ' HB3' ' A' ' 26' ' ' LYS . 1.4 t30 -117.19 70.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.631 ' OG1' ' CD2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.48 ' SD ' ' HA ' ' A' ' 22' ' ' THR . 3.1 ttt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.756 0.313 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.663 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 1.4 mt-10 -108.49 138.2 45.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -117.53 -171.99 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.716 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -122.96 105.04 9.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.824 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.773 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -101.25 164.68 11.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.861 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.8 t -111.93 114.22 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.714 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -68.65 -115.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.438 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 p -124.08 -31.21 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -127.82 1.63 6.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.426 ' O ' HD11 ' A' ' 13' ' ' LEU . . . -141.1 137.03 7.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.84 ' SG ' ' NH2' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -113.5 36.98 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.635 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 5.4 m170 -138.7 50.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.774 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.718 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 3.8 mp -99.64 133.09 44.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.709 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -102.27 112.35 25.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.876 HG12 ' N ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -110.71 166.19 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.174 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.876 ' N ' HG12 ' A' ' 15' ' ' ILE . 94.3 m -120.59 111.45 17.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.724 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -72.8 -152.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.036 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -163.44 171.11 16.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -35.66 -46.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.266 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.07 -54.64 44.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.862 ' HB2' ' HB2' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -103.21 102.79 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.97 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.48 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 1.2 p -112.06 -4.05 14.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.831 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.5 m-85 -101.54 158.32 16.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.03 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 t -124.99 98.5 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.712 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 8.6 p90 -99.77 137.48 38.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.216 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.86 ' HG3' ' OD1' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -129.11 98.87 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.324 179.457 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.966 ' NE1' HG13 ' A' ' 51' ' ' VAL . 34.6 t90 -99.51 142.24 31.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.017 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.973 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -131.34 128.92 40.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.973 ' N ' HD12 ' A' ' 28' ' ' LEU . 21.9 t-20 -109.33 105.34 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.5 36.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.74 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.854 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 3.4 mm -129.11 -46.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.345 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.21 19.05 7.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.128 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.5 t30 54.46 24.45 5.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.497 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -93.78 122.98 36.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.84 ' NH2' ' SG ' ' A' ' 11' ' ' CYS . 23.7 mtm180 -126.45 142.26 51.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.717 ' CD2' ' CE3' ' A' ' 27' ' ' TRP . 10.2 m0 -104.76 87.08 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.719 ' CG ' HD21 ' A' ' 62' ' ' ASN . 5.5 mp -102.24 113.8 27.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.45 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . -178.93 -176.91 47.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.282 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.862 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.7 m -99.45 125.35 45.16 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.881 0.372 . . . . 0.0 110.984 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.817 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -118.08 164.87 14.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.196 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.973 ' HD2' ' H ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -73.97 -42.62 60.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.973 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 36.7 p -132.79 138.75 47.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.9 t -44.42 153.25 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.306 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.753 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -140.14 23.62 2.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.543 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.65 132.31 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.13 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.728 HG13 ' O ' ' A' ' 44' ' ' THR . 11.0 mt -136.09 90.84 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.12 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -99.46 102.11 13.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.0 p -126.64 -138.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.762 ' CH2' ' ND2' ' A' ' 50' ' ' ASN . 5.1 p-90 -97.01 -37.83 10.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.118 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.762 ' ND2' ' CH2' ' A' ' 49' ' ' TRP . 1.2 p-10 -121.35 -18.9 7.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.295 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.966 HG13 ' NE1' ' A' ' 27' ' ' TRP . 46.0 t -99.81 125.88 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.295 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.867 ' HE1' ' HD3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -133.72 100.52 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.708 ' ND2' HG22 ' A' ' 44' ' ' THR . 31.7 t30 -114.53 130.56 56.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.581 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.867 ' HD3' ' HE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -128.31 127.94 43.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.149 -179.687 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -99.64 149.14 23.6 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.589 ' SG ' HG23 ' A' ' 58' ' ' THR . 0.0 OUTLIER -144.04 160.92 40.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.661 ' OG1' ' O ' ' A' ' 57' ' ' THR . 0.3 OUTLIER -124.37 42.72 3.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.092 0.472 . . . . 0.0 110.854 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.724 ' OG1' ' HB3' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -130.79 176.18 8.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.587 ' O ' ' C ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -80.03 150.17 30.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.018 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.587 ' C ' ' O ' ' A' ' 59' ' ' ASN . 6.8 mt 20.07 60.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.724 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 30.5 p -99.64 -22.75 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.86 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 5.3 t30 -90.65 73.17 6.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.001 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.794 ' CG ' ' HA ' ' A' ' 59' ' ' ASN . 2.6 ttp . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.82 0.343 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.656 ' C ' HD23 ' A' ' 60' ' ' LEU . 43.6 mt-10 -105.61 161.38 14.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.62 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 19.9 m -138.96 -178.46 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.814 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -118.41 102.3 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.98 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -103.26 166.52 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 1.9 t -103.51 123.94 47.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.692 ' N ' HD13 ' A' ' 13' ' ' LEU . . . -71.05 -156.36 2.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.352 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.455 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 0.2 OUTLIER -83.1 -13.81 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.07 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -150.08 -4.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.443 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -125.36 163.56 19.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.622 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -132.61 34.4 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.952 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.59 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 46.3 m170 -135.57 45.17 2.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.692 HD13 ' N ' ' A' ' 7' ' ' GLY . 2.9 mp -99.67 131.77 45.44 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -99.13 106.77 19.0 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.797 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.98 ' HB ' ' NE ' ' A' ' 5' ' ' ARG . 1.3 tt -99.83 171.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.931 ' N ' HG12 ' A' ' 15' ' ' ILE . 22.3 m -134.11 107.19 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.054 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.884 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -58.58 170.96 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.763 179.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 20' ' ' GLU . 16.7 m -117.46 163.82 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -35.29 -26.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.977 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -74.83 -48.53 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.75 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.884 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -107.29 122.1 45.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.595 ' O ' ' HE2' ' A' ' 1' ' ' MET . 6.5 p -126.15 -4.6 6.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.984 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.762 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 5.1 m-85 -99.93 161.12 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.39 99.18 7.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.771 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.683 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 1.2 p90 -100.61 140.22 35.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.419 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.703 ' HG3' ' OD1' ' A' ' 62' ' ' ASN . 3.5 ttpt -135.48 97.26 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.131 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.948 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 18.5 t90 -100.92 143.5 30.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.749 HD12 ' H ' ' A' ' 29' ' ' ASN . 1.8 tp -133.22 134.61 44.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.067 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.948 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 60.9 t-20 -113.88 112.26 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.752 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.839 ' HB3' ' HZ2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -76.35 10.42 2.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.446 HD11 ' OD1' ' A' ' 50' ' ' ASN . 25.6 mm -109.4 -55.37 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -104.56 24.07 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.527 ' OD1' ' O ' ' A' ' 33' ' ' ASN . 28.5 t-20 36.25 27.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.985 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.889 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 17.7 tt0 -99.2 136.47 39.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 138.04 50.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.999 0.428 . . . . 0.0 111.542 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.728 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 10.1 m0 -99.93 86.53 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.285 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 4' ' ' TYR . 5.5 mp -100.05 117.46 34.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.668 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 171.56 -166.3 39.3 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.064 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.649 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 17.9 m -103.01 150.51 23.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.008 0.433 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.762 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.53 151.67 44.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.088 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.52 ' HE2' ' H ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -66.38 -23.81 66.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.52 ' H ' ' HE2' ' A' ' 41' ' ' LYS . 10.2 p -138.89 -164.61 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.4 t -101.86 146.43 27.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 44' ' ' THR . 0.7 OUTLIER -134.14 29.78 3.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.901 ' HA ' HD22 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.6 133.53 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.951 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 7.5 mt -140.15 83.42 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.235 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.79 81.05 3.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.65 HG23 HG22 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -100.2 -139.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.765 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.678 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -93.59 -45.76 7.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.828 HD22 ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -114.59 -11.72 12.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.979 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.743 ' CG1' ' HE1' ' A' ' 27' ' ' TRP . 12.4 t -102.78 139.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.526 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.572 ' HE2' ' NZ ' ' A' ' 26' ' ' LYS . 1.8 t80 -140.13 105.39 5.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.951 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -115.77 130.7 56.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.545 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -131.98 125.46 31.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.352 -179.669 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.563 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -100.06 151.11 21.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.851 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.38 172.72 12.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.46 7.62 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.831 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -113.68 148.54 36.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.794 ' HA ' ' CG ' ' A' ' 1' ' ' MET . 1.2 t-20 -39.17 159.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.656 HD23 ' C ' ' A' ' 2' ' ' GLU . 39.1 mt 13.1 55.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.831 ' HB2' ' O ' ' A' ' 58' ' ' THR . 0.9 OUTLIER -81.45 -1.98 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.768 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.797 HD21 ' HG ' ' A' ' 37' ' ' LEU . 37.9 t30 -111.68 75.85 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.575 HG22 ' CG ' ' A' ' 4' ' ' TYR . 4.6 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.77 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.754 0.312 . . . . 0.0 111.255 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.618 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 43.4 mt-10 -99.78 132.56 45.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 28.0 m -108.82 -168.57 1.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.699 ' HD1' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -125.68 105.02 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.843 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.705 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.23 161.81 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.547 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.61 115.42 23.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.932 0.396 . . . . 0.0 111.101 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.8 34.84 2.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.385 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.711 HG12 ' N ' ' A' ' 9' ' ' SER . 0.6 OUTLIER 74.17 -58.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 111.119 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.711 ' N ' HG12 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -97.28 -9.6 27.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.99 125.29 3.35 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.394 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.8 38.61 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.952 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.07 38.43 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.297 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.705 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 2.8 mp -100.04 132.02 45.65 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.561 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -103.35 122.45 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 111.186 -179.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.703 HG12 ' N ' ' A' ' 16' ' ' THR . 0.1 OUTLIER -113.54 164.51 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.032 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.703 ' N ' HG12 ' A' ' 15' ' ' ILE . 51.3 m -125.72 107.29 10.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.992 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -99.49 106.31 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.699 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -139.45 128.19 23.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.037 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 85.64 -36.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -67.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.822 ' CB ' ' HB3' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -100.89 154.08 18.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.579 179.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -137.2 -13.98 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.175 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.724 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 10.0 m-85 -112.23 162.23 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.232 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.59 95.27 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.584 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.877 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 2.7 p90 -100.74 148.43 24.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.358 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.918 ' HE2' ' CE2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -139.07 99.66 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.536 179.613 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.918 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 33.5 t90 -100.21 146.14 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.052 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.173 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -133.67 131.85 40.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.016 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 1.173 ' N ' HD12 ' A' ' 28' ' ' LEU . 49.0 t30 -105.0 118.53 36.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 1.01 ' HE2' ' HA ' ' A' ' 50' ' ' ASN . 21.8 mtmt -80.88 22.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -133.1 -62.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.294 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.599 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -92.6 21.78 5.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.505 ' OD1' ' O ' ' A' ' 33' ' ' ASN . 25.4 t-20 37.95 22.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.67 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 2.4 mt-10 -89.22 128.89 35.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.724 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 1.017 ' NH2' HD22 ' A' ' 28' ' ' LEU . 1.9 ptp180 -125.56 134.81 51.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.019 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.877 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 13.5 m0 -99.89 84.76 2.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.629 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.651 ' CG ' HD21 ' A' ' 62' ' ' ASN . 7.7 mp -99.75 119.07 37.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.01 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.55 -166.95 39.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.822 ' HB3' ' CB ' ' A' ' 21' ' ' GLU . 34.3 m -100.51 150.05 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.957 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.564 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.76 167.15 22.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.01 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -32.86 23.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.725 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.56 144.75 44.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.708 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.3 t -61.74 148.25 43.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.808 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -139.99 25.85 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.836 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.76 139.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.934 HD12 ' CB ' ' A' ' 53' ' ' ASN . 1.9 mt -140.1 88.71 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.225 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -101.41 77.9 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.643 HG23 HG22 ' A' ' 46' ' ' ILE . 7.1 p -100.04 -124.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.739 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.897 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 2.7 p-90 -105.75 -49.14 3.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 1.01 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -109.27 -19.84 13.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.385 -179.491 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.739 HG13 ' CD1' ' A' ' 27' ' ' TRP . 5.2 t -99.85 132.07 46.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.901 0.381 . . . . 0.0 111.311 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.918 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 1.6 t80 -135.04 104.05 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.828 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.934 ' CB ' HD12 ' A' ' 46' ' ' ILE . 45.9 t30 -116.94 135.23 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.684 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.762 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -136.5 127.14 27.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.285 -179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.85 153.34 19.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.09 164.52 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.029 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.54 HG22 ' HE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -124.9 4.11 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.5 178.41 4.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.621 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -66.96 158.17 31.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.095 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.619 ' C ' ' O ' ' A' ' 59' ' ' ASN . 48.8 mt 13.99 54.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.322 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.621 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -80.82 -3.92 52.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.985 0.421 . . . . 0.0 110.505 179.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.651 HD21 ' CG ' ' A' ' 37' ' ' LEU . 10.5 t30 -106.55 97.57 7.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.779 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.703 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.857 0.361 . . . . 0.0 111.254 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 1.004 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -129.77 140.92 50.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 88.8 m -107.89 172.64 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.971 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -116.33 100.99 8.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.609 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.841 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.87 173.41 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.817 ' SG ' ' NH2' ' A' ' 35' ' ' ARG . 2.2 t -120.39 112.92 19.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.796 ' H ' HD11 ' A' ' 13' ' ' LEU . . . -68.54 -146.98 0.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.353 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 8' ' ' VAL . 2.5 p -79.15 -40.52 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.969 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 t -133.9 21.23 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -140.66 150.26 21.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.51 15.94 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.349 . . . . 0.0 110.969 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.727 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 49.0 m170 -117.2 50.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.841 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.1 mp -100.38 123.68 44.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.786 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -99.81 108.36 20.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.714 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.516 ' C ' ' HG2' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -115.52 146.59 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.242 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 1.004 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 5.1 m -90.28 125.76 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.744 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.626 ' SG ' ' SD ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -93.32 146.64 23.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.0 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.18 -177.26 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.26 -11.7 23.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.176 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -81.29 -50.04 10.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.531 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.11 101.45 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.566 ' C ' ' HE3' ' A' ' 1' ' ' MET . 5.4 p -107.7 2.87 24.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.679 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.632 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 3.5 m-85 -108.91 147.9 31.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.233 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.681 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 42.2 m -115.0 101.95 9.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.205 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.735 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 28.5 p90 -99.87 129.57 45.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.049 0.452 . . . . 0.0 111.713 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 1.0 ' HB3' ' HB2' ' A' ' 62' ' ' ASN . 4.0 ptmt -123.03 97.75 5.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.875 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.955 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 68.1 t90 -101.77 145.87 28.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.348 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.644 HD13 ' HG3' ' A' ' 35' ' ' ARG . 11.8 tp -138.82 128.71 25.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.811 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.955 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 15.4 t-20 -107.9 113.53 26.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.028 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.642 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -78.46 15.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.805 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.863 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 5.1 mm -103.89 -61.2 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.55 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 29.1 t -102.55 -15.86 16.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 32' ' ' SER . 0.4 OUTLIER 87.98 16.73 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.64 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 4.7 tt0 -84.45 129.38 34.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.967 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -117.8 127.81 54.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.738 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 8.1 m0 -100.04 82.42 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.971 HD23 ' O ' ' A' ' 4' ' ' TYR . 6.4 mp -104.11 122.62 45.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 177.09 -172.72 45.64 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 3.2 m -99.3 137.92 37.12 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.856 0.36 . . . . 0.0 111.034 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.632 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.97 168.83 18.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.032 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -80.19 -50.67 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.64 -158.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 16.0 t -116.34 135.28 54.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.806 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -113.28 23.44 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.803 ' HA ' HD22 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.75 123.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.771 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.962 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 20.8 mt -133.46 81.27 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.252 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.57 89.88 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.816 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.59 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 1.9 p -109.28 -132.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.871 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 2.1 p-90 -98.74 -49.5 4.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.674 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.871 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -110.91 -13.8 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.139 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.744 HG13 ' NE1' ' A' ' 27' ' ' TRP . 14.6 t -102.35 139.34 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.369 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.552 ' HE1' ' HB2' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -140.17 106.14 5.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.962 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 2.8 t30 -117.13 123.0 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.552 ' HB2' ' HE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -124.66 126.82 46.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.91 0.386 . . . . 0.0 111.51 -179.575 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 m -100.45 147.03 26.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.26 -177.96 5.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.1 p -140.16 2.57 1.91 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.322 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.831 HG23 ' SG ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -108.39 172.45 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.168 -179.818 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.675 ' ND2' ' H ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -58.34 155.52 11.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.623 ' C ' ' O ' ' A' ' 59' ' ' ASN . 1.2 mt 16.09 51.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.831 ' SG ' HG23 ' A' ' 58' ' ' THR . 0.6 OUTLIER -76.86 -28.5 55.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 1.0 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 19.9 p-10 -107.23 106.79 17.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.918 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.641 ' HG2' ' HA ' ' A' ' 59' ' ' ASN . 13.4 tmm? . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.82 0.343 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.462 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -105.84 143.2 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.98 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.83 -177.59 3.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.032 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.605 ' HE2' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -129.87 106.65 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.758 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.581 ' O ' HD13 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -100.79 177.87 4.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 45.1 t -133.51 109.07 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -75.29 -171.15 28.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.548 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 9' ' ' SER . 10.9 p -66.57 -40.23 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 111.278 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.441 ' N ' HG13 ' A' ' 8' ' ' VAL . 5.0 t -116.08 0.6 13.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.98 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.566 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -129.46 148.61 18.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.691 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -136.07 18.07 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.023 0.44 . . . . 0.0 110.617 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.58 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -136.02 48.63 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.388 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.982 HD12 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -98.85 128.15 44.97 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -179.45 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.73 122.45 42.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.992 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.689 HG13 ' N ' ' A' ' 16' ' ' THR . 0.3 OUTLIER -111.78 156.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.689 ' N ' HG13 ' A' ' 15' ' ' ILE . 4.4 m -112.3 104.61 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.041 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.068 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -75.94 137.25 40.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.744 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 20' ' ' GLU . 29.2 p -88.3 159.67 17.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.986 0.422 . . . . 0.0 110.987 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -29.88 -37.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -52.11 -50.75 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 1.068 ' HG3' ' HB3' ' A' ' 17' ' ' CYS . 3.7 pt-20 -114.44 138.59 50.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.11 -1.14 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.7 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-30 -99.8 153.94 18.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.849 ' SG ' ' HB3' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -118.28 103.34 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.741 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 2.8 p90 -99.86 132.02 45.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.025 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.604 ' HZ3' ' HA ' ' A' ' 62' ' ' ASN . 8.7 ttpt -132.86 99.69 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.729 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.938 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 29.6 t90 -101.43 144.8 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.879 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -133.08 133.65 43.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.938 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 10.8 t-20 -114.72 116.57 28.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.44 -2.99 41.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -105.85 -49.27 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.574 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 41.4 t -93.79 2.72 56.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 32' ' ' SER . 0.7 OUTLIER 48.44 14.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.929 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 1.1 tt0 -95.22 145.93 24.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.717 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.532 ' H ' ' HD2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -129.68 131.62 46.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.741 ' HB3' ' HE2' ' A' ' 25' ' ' TYR . 9.7 m0 -99.91 86.05 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.789 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 4' ' ' TYR . 9.6 mp -105.87 129.45 54.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.01 -168.0 41.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.63 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.565 ' HB2' ' OE2' ' A' ' 21' ' ' GLU . 4.9 m -99.28 141.82 31.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.7 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -138.5 153.9 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.227 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.862 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.88 -18.01 54.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.682 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.12 -170.57 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.634 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 29.1 t -101.91 145.72 28.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.054 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -134.45 30.55 3.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.796 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -45.6 128.03 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.864 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 8.1 mt -132.69 80.86 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.637 ' C ' ' OD1' ' A' ' 47' ' ' ASP . 2.3 t0 -93.49 100.22 12.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.7 p -120.57 -129.22 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.666 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -109.43 -39.07 5.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.687 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.886 HD22 ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -114.27 -19.58 11.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.963 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.924 HG13 ' NE1' ' A' ' 27' ' ' TRP . 24.1 t -104.25 139.3 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.443 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -140.0 100.29 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.864 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -112.39 125.74 54.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.41 179.53 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.844 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -127.4 128.65 46.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.552 -179.514 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.844 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -100.01 149.21 23.7 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.38 174.49 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -137.54 29.9 2.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.7 p -139.96 -177.79 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.039 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.705 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.6 OUTLIER -68.93 162.93 25.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 59' ' ' ASN . 18.2 mt 13.92 51.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.705 ' N ' ' O ' ' A' ' 59' ' ' ASN . 1.6 t -90.02 2.59 55.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.849 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 0.3 OUTLIER -121.28 32.92 5.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.968 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.873 ' SD ' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.762 0.315 . . . . 0.0 111.225 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 1.014 ' HG2' ' HA ' ' A' ' 16' ' ' THR . 8.6 mt-10 -99.98 142.3 31.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.735 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.7 m -123.52 168.19 12.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.055 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -101.13 92.15 4.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.609 179.791 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 1.095 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -89.97 170.54 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 3.3 t -112.9 135.62 53.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.751 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.537 ' H ' HD11 ' A' ' 13' ' ' LEU . . . -95.26 -133.23 7.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.554 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.578 ' CG1' ' N ' ' A' ' 9' ' ' SER . 2.0 p -86.61 -49.74 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.273 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.578 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 41.1 t -124.83 8.42 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.022 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.74 149.84 18.86 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.581 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -127.02 20.37 6.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.965 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.619 ' HA ' ' CD1' ' A' ' 4' ' ' TYR . 1.2 m170 -126.0 52.23 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.805 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.537 HD11 ' H ' ' A' ' 7' ' ' GLY . 3.3 mp -99.67 131.55 45.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.046 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.875 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -100.26 101.62 12.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 1.103 HD12 ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -106.84 135.6 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 1.014 ' HA ' ' HG2' ' A' ' 2' ' ' GLU . 48.3 m -96.11 114.14 25.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.103 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 3.6 m -116.95 137.24 52.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.52 ' C ' ' H ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -153.96 151.39 29.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 72.04 -31.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -108.17 -62.37 1.46 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.605 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 1.103 ' HG3' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -110.44 136.99 48.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.631 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 p -134.57 -8.6 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.165 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.784 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 2.8 m-85 -104.74 154.4 20.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.969 0.414 . . . . 0.0 111.233 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.733 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 60.8 m -110.67 95.91 5.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.145 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.943 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 10.1 p90 -99.8 137.78 37.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.031 0.443 . . . . 0.0 111.497 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.701 ' NZ ' ' CE2' ' A' ' 52' ' ' TYR . 2.7 ttpt -135.18 97.04 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.393 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.951 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 41.2 t90 -99.78 131.49 45.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.031 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.96 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -126.55 123.19 37.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.321 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.96 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.1 t-20 -107.39 110.18 22.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.78 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -70.83 -2.05 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.672 ' H ' ' ND2' ' A' ' 29' ' ' ASN . 41.1 mm -100.7 -60.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.236 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.714 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.5 t -95.93 22.82 6.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 32' ' ' SER . 0.0 OUTLIER 35.47 19.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.04 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.718 ' HB3' ' CZ3' ' A' ' 27' ' ' TRP . 2.0 mt-10 -86.38 134.89 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.613 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.667 ' HG2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -133.77 128.76 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.946 0.403 . . . . 0.0 111.355 -179.659 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.943 ' HB3' ' HE2' ' A' ' 25' ' ' TYR . 7.9 m0 -102.06 87.72 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.47 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.095 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 2.7 mp -104.01 127.78 51.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.434 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 159.94 -164.4 34.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 1.035 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.25 132.52 44.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.767 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -131.58 160.88 34.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.253 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.592 ' HE2' ' HA ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -84.35 -53.07 5.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.684 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 p -104.26 135.27 46.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.705 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.1 t -64.64 134.35 54.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.727 HG23 ' OD1' ' A' ' 53' ' ' ASN . 1.8 t -119.18 34.87 5.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.678 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.94 128.43 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.971 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 68.2 mt -140.03 75.44 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 79.06 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.5 p -99.96 -137.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.755 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.67 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 1.2 p-90 -100.52 -35.83 9.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.748 ' H ' ' ND2' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -113.19 -28.16 7.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.251 -179.812 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.752 HG13 ' CD1' ' A' ' 27' ' ' TRP . 40.8 t -99.77 142.81 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.701 ' CE2' ' NZ ' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -137.56 95.14 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.803 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.971 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -102.95 115.47 30.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.358 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.604 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -119.73 120.78 37.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 0.0 111.345 -179.561 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.24 142.29 31.92 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.0 173.28 11.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.857 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.73 0.52 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.572 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -103.26 161.79 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.873 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -50.6 153.96 1.49 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 59' ' ' ASN . 76.3 mt 15.49 47.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.732 ' N ' ' O ' ' A' ' 59' ' ' ASN . 2.7 t -70.02 -13.02 62.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.783 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -103.88 103.66 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.881 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.708 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 4.6 ttp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.799 0.333 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.844 ' HG2' ' HA ' ' A' ' 16' ' ' THR . 38.7 mt-10 -115.49 150.26 36.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.68 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.7 m -111.63 178.47 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.632 ' CD2' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -120.63 108.16 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.577 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.975 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 8.4 ptt85 -106.74 166.57 10.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.16 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 t -118.44 106.79 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.655 ' H ' HD13 ' A' ' 13' ' ' LEU . . . -66.16 -158.79 0.61 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.572 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -91.57 -12.95 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.796 0.331 . . . . 0.0 111.178 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.38 -17.49 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.69 154.32 20.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.612 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.86 20.5 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.829 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.615 ' CD2' ' CE1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -133.14 48.46 2.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.678 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.655 HD13 ' H ' ' A' ' 7' ' ' GLY . 4.5 mp -99.66 122.71 43.07 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.985 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.956 ' HE2' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -99.49 114.43 27.39 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.568 ' O ' ' HG2' ' A' ' 2' ' ' GLU . 1.1 tt -107.48 156.96 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.844 ' HA ' ' HG2' ' A' ' 2' ' ' GLU . 58.7 m -99.05 132.37 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.962 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.708 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -97.81 142.28 29.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -83.31 166.81 18.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.73 -35.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -50.08 66.89 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.676 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 23.1 mt-10 -100.98 116.11 32.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.835 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 t -130.78 5.59 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.956 ' HE1' HG22 ' A' ' 57' ' ' THR . 1.2 m-85 -100.99 161.01 13.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.702 ' HB3' ' HB3' ' A' ' 62' ' ' ASN . 1.3 m -123.29 100.61 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.47 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.476 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -102.55 135.93 43.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 111.523 -179.406 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -127.69 97.02 4.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.207 179.395 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.864 ' NE1' HG13 ' A' ' 51' ' ' VAL . 50.4 t90 -101.78 143.04 32.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.144 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.971 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -135.34 134.4 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.957 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.971 ' N ' HD12 ' A' ' 28' ' ' LEU . 27.5 t-20 -112.19 112.91 24.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -83.64 17.7 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.557 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 7.6 mm -115.03 -39.75 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.532 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 2.5 t -111.94 -20.29 12.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.9 t-20 85.73 15.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.667 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 4.4 tt0 -101.65 137.57 39.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 1.076 ' HG3' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -128.9 139.92 51.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.809 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 12.0 m0 -100.44 86.57 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.721 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.076 HD13 ' HG3' ' A' ' 35' ' ' ARG . 5.3 mp -104.74 127.29 52.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.467 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 166.51 -162.72 36.37 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.68 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 57.7 m -99.58 139.84 34.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.82 0.343 . . . . 0.0 110.816 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.829 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -137.73 146.87 44.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.078 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.778 ' HD2' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -70.64 -17.63 62.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.778 HG23 ' HD2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -138.61 -155.92 0.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.612 ' N ' ' OG1' ' A' ' 42' ' ' THR . 39.3 t -135.39 140.42 44.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.734 ' O ' HG23 ' A' ' 44' ' ' THR . 1.1 t -131.08 34.98 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.869 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -37.24 131.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 44' ' ' THR . 7.0 mt -137.83 90.22 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.35 101.51 12.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.0 p -127.42 -137.3 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.53 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.664 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -106.49 -21.63 13.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.79 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.779 HD22 ' H ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -123.55 -32.02 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.864 HG13 ' NE1' ' A' ' 27' ' ' TRP . 54.4 t -99.7 135.98 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -140.09 96.84 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.772 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.869 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 48.6 t30 -113.14 125.12 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.557 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.498 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -131.68 126.84 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 111.56 -179.676 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.69 151.81 21.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.786 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.606 ' SG ' ' OG1' ' A' ' 58' ' ' THR . 0.0 OUTLIER -150.08 159.4 44.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.046 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.956 HG22 ' HE1' ' A' ' 23' ' ' PHE . 4.1 p -115.07 51.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.035 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.859 ' O ' ' HB3' ' A' ' 61' ' ' CYS . 1.0 OUTLIER -139.58 132.96 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.729 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -40.23 153.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.956 HD11 ' HE2' ' A' ' 14' ' ' LYS . 77.9 mt 12.02 52.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.859 ' HB3' ' O ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -98.14 -21.87 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.702 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 1.7 p-10 -99.53 98.78 9.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.958 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.777 0.322 . . . . 0.0 111.165 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.958 ' N ' ' HG2' ' A' ' 1' ' ' MET . 9.0 mt-10 -103.74 156.06 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.041 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 59.7 m -123.42 -179.45 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.578 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.015 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -129.63 109.93 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.606 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.82 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 10.8 ptt180 -93.83 164.96 12.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -121.98 146.28 47.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.742 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.03 -159.72 12.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.576 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 p -88.22 -30.27 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.341 . . . . 0.0 111.163 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.08 0.09 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.26 123.29 1.97 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.582 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -114.49 37.91 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.495 ' C ' ' HE1' ' A' ' 4' ' ' TYR . 18.5 m80 -135.04 50.68 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.82 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.7 mp -99.7 129.09 45.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.692 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -103.59 113.29 26.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.885 HD11 ' SG ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -99.72 150.33 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.715 179.769 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.545 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -104.83 123.15 47.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.987 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.758 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -116.67 110.72 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.859 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.594 ' C ' ' H ' ' A' ' 20' ' ' GLU . 1.2 m -148.86 135.11 19.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 68.04 -29.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.594 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -101.29 -63.61 1.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.646 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.893 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -111.25 150.63 29.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.58 -10.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.721 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.532 ' CE1' HG22 ' A' ' 57' ' ' THR . 2.2 m-30 -110.43 163.45 13.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.076 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.552 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 5.9 m -125.69 97.58 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.303 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.765 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 4.2 p90 -100.69 127.33 47.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.475 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.908 ' HB3' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -126.72 104.96 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.287 179.456 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.947 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 42.2 t90 -99.54 145.14 27.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.057 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.835 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -130.83 120.2 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.947 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -100.03 110.18 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.747 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -79.85 11.06 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 mm -114.38 -53.06 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.655 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 1.0 OUTLIER -98.1 -15.89 19.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.655 ' HB3' ' O ' ' A' ' 32' ' ' SER . 26.0 t30 78.77 12.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.825 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 37.4 tt0 -87.87 132.86 34.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.796 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.651 ' HD3' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -124.8 140.86 52.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.048 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.765 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 8.5 m0 -106.94 78.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.784 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.015 HD23 ' O ' ' A' ' 4' ' ' TYR . 1.2 mp -99.95 106.9 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.15 -167.06 32.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.893 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 3.6 m -99.44 138.11 36.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 111.035 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.08 176.16 8.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.515 ' HB2' ' HZ2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -93.88 -53.29 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.816 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.1 p -110.08 140.73 43.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.783 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.0 t -62.87 147.63 49.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.789 ' O ' HG13 ' A' ' 46' ' ' ILE . 3.4 t -132.92 30.27 4.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.829 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.91 132.02 1.3 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.839 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 54.2 mt -134.35 87.25 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.2 84.27 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.459 ' OG1' ' HB ' ' A' ' 51' ' ' VAL . 48.8 p -105.45 -140.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.626 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.676 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -100.49 -35.6 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.894 HD22 ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -118.01 -22.81 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.095 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.699 HG13 ' NE1' ' A' ' 27' ' ' TRP . 3.0 t -100.46 138.63 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.16 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -140.03 102.58 4.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.234 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.839 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 31.1 t30 -110.5 132.26 54.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.335 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.782 ' O ' ' HE2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -134.95 123.51 23.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.207 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.74 155.46 17.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.77 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -145.64 169.23 18.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.944 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.532 HG22 ' CE1' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -134.91 24.03 3.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.674 ' OG1' ' SG ' ' A' ' 61' ' ' CYS . 25.6 p -124.64 154.41 40.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.8 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.643 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 4.8 t-20 -34.03 132.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.786 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.585 ' CD2' ' O ' ' A' ' 3' ' ' CYS . 8.7 mt 21.57 45.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.674 ' SG ' ' OG1' ' A' ' 58' ' ' THR . 7.9 t -64.24 0.65 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.781 ' OD1' ' HB3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -121.91 81.54 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.791 ' HE2' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.81 0.338 . . . . 0.0 111.112 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.927 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.7 mp0 -107.26 159.74 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 33.4 m -125.38 -173.11 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.858 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -126.17 105.6 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.715 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -95.17 173.73 7.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 14.9 t -127.21 118.09 23.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -73.57 -176.85 33.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.652 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.459 ' O ' HG22 ' A' ' 8' ' ' VAL . 4.7 p -63.0 -12.85 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 111.224 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -148.22 -12.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.679 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -112.32 147.36 18.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -129.35 26.51 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.858 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 23.6 m80 -135.22 49.06 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.665 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.715 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.2 mp -99.71 132.14 45.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.184 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -99.8 115.95 30.74 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.046 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.692 ' CG1' ' N ' ' A' ' 16' ' ' THR . 0.7 OUTLIER -111.37 167.15 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.894 0.378 . . . . 0.0 111.0 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.927 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 1.3 m -118.45 116.28 26.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.635 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -80.87 147.32 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -81.18 167.43 19.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.003 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.39 -28.79 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' OE2' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -67.89 -48.17 66.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.635 ' HG3' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -105.92 123.35 47.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.657 ' O ' ' HE3' ' A' ' 1' ' ' MET . 0.6 OUTLIER -129.57 8.66 5.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 3.5 m-85 -104.48 153.19 21.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.791 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 17.6 m -120.1 102.51 8.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.662 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.656 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 17.3 p90 -102.1 132.33 48.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.889 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -128.31 101.72 6.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.509 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.939 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 46.2 t90 -101.88 144.36 30.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.714 HD12 ' H ' ' A' ' 29' ' ' ASN . 2.3 tp -134.52 135.36 42.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.939 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 38.1 t30 -113.46 119.32 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -83.83 3.85 31.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.744 HG13 HD22 ' A' ' 50' ' ' ASN . 20.7 mm -107.71 -59.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.505 ' HB3' HD22 ' A' ' 29' ' ' ASN . 36.1 t -95.6 2.28 54.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 29' ' ' ASN . 39.6 t30 56.21 18.55 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.668 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 3.5 mt-10 -81.75 136.24 35.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.51 120.48 35.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.045 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.777 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 7.7 m0 -99.92 77.58 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 4' ' ' TYR . 7.4 mp -100.74 137.67 38.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.73 -171.54 38.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.624 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 66.7 m -99.41 142.17 31.24 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.813 0.34 . . . . 0.0 110.782 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.693 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.78 161.56 37.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.493 ' H ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -83.68 -14.7 51.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.013 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -139.42 -154.67 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.981 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.421 ' N ' ' OG1' ' A' ' 42' ' ' THR . 32.3 t -129.49 138.47 51.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.824 ' O ' HG13 ' A' ' 46' ' ' ILE . 3.2 t -127.33 28.76 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.724 ' CA ' HD22 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -33.84 136.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.016 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.824 HG13 ' O ' ' A' ' 44' ' ' THR . 6.4 mt -140.29 84.87 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.202 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.62 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 1.1 p-10 -96.64 82.64 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.661 HG23 HG22 ' A' ' 46' ' ' ILE . 3.3 p -105.57 -142.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.667 ' CD2' ' OD1' ' A' ' 50' ' ' ASN . 3.9 p-90 -97.33 -31.75 12.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.042 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.744 HD22 HG13 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -120.51 -23.46 6.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.131 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.881 HG13 ' NE1' ' A' ' 27' ' ' TRP . 18.9 t -99.52 138.21 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.161 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -140.25 98.72 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.748 ' ND2' ' C ' ' A' ' 44' ' ' THR . 21.6 t30 -113.53 132.25 55.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.484 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.793 ' HE3' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -134.0 128.97 35.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.307 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.51 148.38 25.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.034 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -135.73 158.52 44.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.814 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.7 p -111.78 -3.46 14.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.058 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.789 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -103.44 146.2 28.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.882 ' ND2' HD12 ' A' ' 60' ' ' LEU . 7.0 t30 -43.94 156.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.772 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.882 HD12 ' ND2' ' A' ' 59' ' ' ASN . 1.1 mt 21.57 53.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.789 ' HB2' ' O ' ' A' ' 58' ' ' THR . 7.3 t -96.58 35.35 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.889 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -148.34 98.98 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.775 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.839 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.4 mt-10 -118.97 143.58 46.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.854 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.9 m -109.17 -179.28 3.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.668 ' HB3' ' O ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -124.16 106.01 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.792 ' HG2' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -98.93 161.56 13.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 6.4 t -107.99 120.34 42.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.921 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -88.25 177.36 45.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.543 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.666 HG13 ' H ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -48.29 -62.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 111.123 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.666 ' H ' HG13 ' A' ' 8' ' ' VAL . 43.9 t -110.19 25.42 11.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.581 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -149.27 155.39 26.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -138.63 20.34 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 110.823 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.416 ' HD2' ' HE2' ' A' ' 4' ' ' TYR . 49.3 m80 -129.73 50.6 2.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 13' ' ' LEU . 3.0 mp -99.41 127.11 45.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.808 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.659 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.62 116.23 31.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 -179.67 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.792 ' CG2' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -112.21 139.82 34.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.799 179.786 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.839 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 99.3 m -92.69 105.66 17.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.694 ' SG ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -69.25 131.14 44.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.93 163.72 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.39 -22.25 4.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.79 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.573 ' OE2' ' CD ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -69.77 -52.58 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.629 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 3.6 pt-20 -106.76 121.63 44.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.824 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.715 ' O ' ' HE3' ' A' ' 1' ' ' MET . 10.1 p -129.97 24.23 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.747 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 13.7 m-85 -108.9 152.12 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.958 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.75 97.71 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.54 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -100.81 123.91 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.495 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.936 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -119.47 101.73 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.085 179.367 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.916 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 55.2 t90 -99.55 144.94 28.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.093 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.113 HD13 ' CG ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -132.72 130.01 39.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.942 ' N ' HD12 ' A' ' 28' ' ' LEU . 23.9 t-20 -109.48 99.87 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -70.48 29.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.552 ' H ' ' C ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -119.38 -69.69 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.878 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 5.3 t -90.01 -16.77 29.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.878 ' HB3' ' O ' ' A' ' 32' ' ' SER . 6.2 t30 88.29 23.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.963 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.896 ' HG3' ' HZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -103.7 138.62 40.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 1.113 ' CG ' HD13 ' A' ' 28' ' ' LEU . 1.9 mtt180 -127.72 141.59 51.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.095 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.778 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 9.5 m0 -99.93 81.7 2.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.717 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.834 ' HG ' HD21 ' A' ' 62' ' ' ASN . 9.0 mp -99.9 122.59 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.54 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 174.8 -167.36 39.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.549 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.854 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 67.1 m -99.48 142.0 31.52 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.795 0.331 . . . . 0.0 110.819 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.747 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.04 162.09 36.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.573 ' CD ' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -77.64 -37.44 50.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.685 179.792 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -126.27 -175.15 3.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.601 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 27.0 t -100.35 143.7 30.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.73 ' O ' HG23 ' A' ' 44' ' ' THR . 1.4 t -131.55 37.78 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.645 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.794 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -44.93 132.74 6.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.931 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 67.5 mt -138.64 75.55 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.8 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.15 86.32 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.206 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 22.0 p -105.45 -127.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.787 ' CE3' ' ND2' ' A' ' 50' ' ' ASN . 2.3 p-90 -106.59 -44.82 4.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.574 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.828 HD22 ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -108.18 -21.91 12.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.829 HG13 ' HE1' ' A' ' 27' ' ' TRP . 64.9 t -100.02 141.06 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.389 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.439 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t80 -140.31 101.77 4.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.931 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 6.3 t30 -112.96 123.1 49.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.389 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HD2' ' HE2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -129.23 124.06 33.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 111.472 -179.516 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.81 152.45 20.11 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.7 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.1 149.02 45.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.49 21.11 17.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.541 ' O ' ' HG3' ' A' ' 1' ' ' MET . 58.3 p -114.08 -153.11 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.734 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -100.07 158.5 15.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.592 ' C ' ' O ' ' A' ' 59' ' ' ASN . 12.3 mt 18.0 43.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.734 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -79.52 24.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.774 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.936 ' HA ' ' HD2' ' A' ' 26' ' ' LYS . 62.0 t-20 -137.43 49.72 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.91 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.859 ' HE1' ' SG ' ' A' ' 24' ' ' CYS . 14.7 tmm? . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.832 0.348 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.759 ' O ' ' SD ' ' A' ' 1' ' ' MET . 3.4 mp0 -109.78 132.75 53.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.5 m -105.33 -179.2 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.956 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.843 ' CE1' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -129.27 109.28 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.755 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.839 ' HE ' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -112.84 163.57 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 -179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 5.0 t -101.99 121.74 42.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.637 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.739 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -79.02 -159.12 14.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.666 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 9' ' ' SER . 3.8 p -62.74 -53.47 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.214 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.557 ' N ' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -120.63 -4.13 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -113.22 152.72 17.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -126.89 13.59 7.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.896 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -121.24 51.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.042 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.739 ' CD1' ' H ' ' A' ' 7' ' ' GLY . 4.6 mp -99.44 124.24 44.41 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.738 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.61 109.74 22.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.937 HG13 ' N ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -100.15 158.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.937 ' N ' HG13 ' A' ' 15' ' ' ILE . 16.0 m -111.62 122.08 46.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.836 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -88.98 155.75 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.612 ' HB2' ' HG3' ' A' ' 20' ' ' GLU . 2.5 m -101.9 157.77 16.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -27.39 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.612 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.0 OUTLIER -62.75 -53.18 58.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.836 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -104.29 121.3 43.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.449 ' O ' ' HE2' ' A' ' 1' ' ' MET . 13.6 t -135.04 0.68 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-30 -101.11 156.45 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.859 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 17.9 m -116.08 103.01 10.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.707 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.787 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 1.2 p90 -99.87 125.06 45.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.025 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.631 ' HD2' ' HB2' ' A' ' 62' ' ' ASN . 3.8 ptmt -124.52 97.67 5.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.938 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 21.4 t90 -104.82 147.19 27.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.721 HD13 ' CZ ' ' A' ' 35' ' ' ARG . 26.2 tp -135.72 138.54 42.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.066 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.938 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 9.2 t-20 -115.91 109.39 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -80.96 23.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -128.95 -36.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.293 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.798 ' HB3' ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -116.6 -7.23 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.1 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 72.3 10.99 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.817 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.876 ' HB3' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.05 149.26 43.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.663 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.721 ' CZ ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -139.76 116.98 11.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.866 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.853 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 8.4 m0 -99.6 72.02 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.755 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.635 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 7.4 mp -106.21 129.43 54.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.811 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.09 -158.68 31.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 74.4 m -99.67 138.24 37.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.953 0.406 . . . . 0.0 111.005 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.65 156.38 46.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.035 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.636 ' HE2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -81.31 -35.52 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -174.49 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.743 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 t -111.72 138.47 48.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.779 HG23 ' ND2' ' A' ' 53' ' ' ASN . 5.7 t -129.7 31.98 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.831 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.11 128.13 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.701 ' H ' ' HB3' ' A' ' 53' ' ' ASN . 7.1 mt -132.66 86.62 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -100.69 84.01 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.392 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.0 p -100.07 -132.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.647 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -109.16 -30.05 8.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 0.0 110.756 179.656 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.785 HD22 ' H ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -116.22 -27.26 6.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.029 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.809 HG13 ' CD1' ' A' ' 27' ' ' TRP . 2.2 t -103.57 140.06 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.447 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.53 ' OH ' ' HE2' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -140.16 105.35 5.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.237 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.831 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 41.5 t30 -117.88 125.89 51.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.479 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.628 ' HD2' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -126.28 130.05 50.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.403 -179.493 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.74 143.64 29.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.661 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.21 171.19 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.459 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -136.05 22.72 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 1.017 HG23 ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -126.61 164.37 21.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.916 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.787 HD21 HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -52.56 148.19 7.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.843 HD22 ' CE1' ' A' ' 4' ' ' TYR . 3.9 mt 18.3 47.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.721 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 1.017 ' SG ' HG23 ' A' ' 58' ' ' THR . 2.9 t -65.52 -22.36 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.202 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.742 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 20.0 p-10 -124.8 133.87 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.915 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.913 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.859 0.361 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.708 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -101.51 152.38 20.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.049 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.495 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 17.7 m -114.42 -172.31 2.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.767 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.902 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -127.05 101.44 6.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.867 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -95.89 168.22 10.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.787 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 10' ' ' GLY . 3.9 t -114.14 123.22 49.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.14 -129.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.27 -17.47 6.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 111.184 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -131.52 -0.28 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -147.09 170.88 27.91 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.491 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.507 ' O ' ' OXT' ' A' ' 63' ' ' THR . 0.0 OUTLIER -136.86 36.08 2.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.73 0.3 . . . . 0.0 110.877 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.635 ' C ' ' HE1' ' A' ' 4' ' ' TYR . 2.4 m170 -133.72 52.71 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.759 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.753 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -99.42 127.64 45.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.643 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.725 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -100.41 112.17 24.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.907 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.867 ' CG2' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -112.24 163.16 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.276 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.801 ' O ' HD11 ' A' ' 15' ' ' ILE . 1.5 m -101.82 132.35 47.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.621 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 1.8 m -107.35 110.36 22.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.989 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.8 t -56.35 167.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.13 -22.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -49.46 45.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.815 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -107.15 115.99 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.536 ' O ' ' CE ' ' A' ' 1' ' ' MET . 0.4 OUTLIER -125.16 -4.76 7.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.802 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.696 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.9 m-85 -101.86 148.34 25.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.407 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 89.8 m -112.93 101.55 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 8.0 p90 -100.48 116.92 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.759 ' HG2' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -115.9 102.29 9.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.936 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 28.0 t90 -100.28 137.14 39.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tp -125.12 131.71 53.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 111.073 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.936 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 3.1 t-20 -112.08 115.61 29.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.984 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 1.76 29.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -103.52 -46.32 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.22 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -110.28 6.66 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.631 HD21 HH12 ' A' ' 35' ' ' ARG . 35.5 t30 51.77 19.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.584 ' C ' ' HD3' ' A' ' 35' ' ' ARG . 3.5 tt0 -90.4 136.21 33.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.725 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.858 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -124.95 127.54 47.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 -179.7 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.727 ' CE3' ' CD2' ' A' ' 27' ' ' TRP . 12.8 m0 -101.6 85.11 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.655 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.902 HD23 ' O ' ' A' ' 4' ' ' TYR . 7.4 mp -105.72 114.78 29.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.991 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . -164.35 -178.1 37.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.366 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.815 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 4.0 m -99.32 130.28 45.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.884 0.373 . . . . 0.0 110.972 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.67 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -132.59 168.01 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.873 ' HZ2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -79.78 -40.15 29.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.757 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.471 ' HB ' ' H ' ' A' ' 43' ' ' CYS . 2.1 p -111.75 -154.81 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.839 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 4.4 t -117.96 145.27 44.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.875 HG23 ' ND2' ' A' ' 53' ' ' ASN . 6.8 t -125.77 30.01 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.77 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -46.57 130.64 11.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.702 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 9.2 mt -136.89 84.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.99 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -94.87 91.82 6.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.461 ' OG1' ' HB ' ' A' ' 51' ' ' VAL . 49.2 p -112.37 -133.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.495 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.667 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -104.82 -40.35 5.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.734 179.685 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.784 HD22 ' N ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -112.87 -22.14 10.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.931 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.809 HG13 ' CD1' ' A' ' 27' ' ' TRP . 13.6 t -100.68 136.33 32.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.578 ' HE2' ' HE2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -139.97 99.14 3.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.875 ' ND2' HG23 ' A' ' 44' ' ' THR . 17.0 t30 -110.6 129.71 55.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HD2' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -126.91 126.59 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.526 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.6 m -99.92 143.68 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.112 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.32 172.74 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.571 HG22 ' CE2' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -140.03 14.94 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.129 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.643 ' O ' ' SD ' ' A' ' 1' ' ' MET . 41.0 p -108.02 -151.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.913 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 27.0 t30 -99.01 147.61 24.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.997 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 59' ' ' ASN . 1.2 mt 17.35 46.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.696 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.6 OUTLIER -78.55 4.17 14.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.678 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.759 ' OD1' ' HG2' ' A' ' 26' ' ' LYS . 1.2 m-20 -99.9 -157.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.999 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.669 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.666 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.675 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 18.9 mp0 -121.15 164.91 16.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.692 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.8 m -135.32 -169.56 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.907 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -131.27 109.84 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 1.01 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.75 167.79 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 2.9 t -114.74 135.36 54.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.64 -170.1 16.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.54 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 8' ' ' VAL . 0.2 OUTLIER -54.06 -72.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 0.0 111.103 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' A' ' 9' ' ' SER . 2.8 t -111.15 16.34 21.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.593 ' O ' HD11 ' A' ' 13' ' ' LEU . . . -140.95 109.92 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.441 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 1.8 t -104.36 25.1 10.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.907 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 9.2 m80 -121.6 50.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.01 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.1 mp -99.85 138.84 36.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.629 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -102.67 115.95 31.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.603 HG13 ' N ' ' A' ' 16' ' ' THR . 0.1 OUTLIER -101.57 157.58 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.02 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.675 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 62.1 m -112.44 107.55 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.64 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -108.75 119.76 40.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.021 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.735 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -165.0 118.69 1.26 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.795 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 94.93 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.553 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -100.94 -64.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.453 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.931 ' HB2' ' HB2' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -107.44 139.0 42.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 179.51 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.77 -6.58 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.094 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.881 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.0 m-30 -104.76 152.49 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.29 95.49 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.414 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.698 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -99.52 135.1 41.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 0.0 111.27 -179.457 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.841 ' HD2' ' CB ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -131.24 98.69 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.575 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.924 ' HB3' ' HB2' ' A' ' 36' ' ' TRP . 41.9 t90 -99.78 145.23 27.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.125 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.028 HD12 ' HG2' ' A' ' 35' ' ' ARG . 17.3 tp -131.96 128.26 38.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.068 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.915 HD21 ' HB ' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -106.28 108.4 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.687 179.829 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 50' ' ' ASN . 7.2 mtpt -74.82 15.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.2 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.915 ' HB ' HD21 ' A' ' 29' ' ' ASN . 41.0 mm -119.51 -51.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.695 ' H ' ' ND2' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -108.46 8.44 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.733 179.775 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.586 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 2.1 t30 55.38 11.88 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.786 ' HB3' ' CZ3' ' A' ' 27' ' ' TRP . 2.3 tt0 -70.41 126.1 28.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 1.028 ' HG2' HD12 ' A' ' 28' ' ' LEU . 51.4 mtt180 -119.13 126.35 51.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.28 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.924 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 6.1 m0 -99.93 80.87 2.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.949 HD23 HD21 ' A' ' 62' ' ' ASN . 4.1 mp -103.53 125.01 49.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.005 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.698 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 166.97 -175.28 42.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.496 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.931 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.29 124.61 44.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.807 0.337 . . . . 0.0 110.988 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -119.36 172.75 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.553 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -68.77 -58.26 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.73 -157.23 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.766 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.5 t -108.07 148.29 30.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.772 ' O ' HG23 ' A' ' 44' ' ' THR . 1.3 t -139.04 39.84 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.824 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -46.65 136.27 7.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.717 HG21 HG11 ' A' ' 51' ' ' VAL . 20.6 mt -139.04 90.57 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.19 80.8 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.555 HG23 HG22 ' A' ' 46' ' ' ILE . 16.1 p -101.31 -136.17 0.32 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.479 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.61 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -97.6 -46.15 6.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.895 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.782 ' OD1' HG12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -113.42 -18.42 12.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.365 -179.555 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.878 HG13 ' NE1' ' A' ' 27' ' ' TRP . 4.4 t -100.21 127.66 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.763 0.316 . . . . 0.0 111.165 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.49 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 4.5 t80 -132.44 103.81 6.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.824 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 37.2 t30 -111.65 128.9 56.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.27 126.37 38.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.27 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.66 150.57 22.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.25 172.74 12.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -140.0 24.23 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -126.59 158.1 37.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.593 ' O ' ' C ' ' A' ' 60' ' ' LEU . 47.9 t30 -41.93 142.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.593 ' C ' ' O ' ' A' ' 59' ' ' ASN . 38.3 mt 19.57 61.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.939 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 58' ' ' THR . 1.9 t -85.78 8.2 20.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.884 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.949 HD21 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -133.31 106.37 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.966 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.754 ' SD ' ' O ' ' A' ' 58' ' ' THR . 33.2 ttp . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.7 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 2.2 tt0 -124.01 128.3 49.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 72.2 m -103.62 -177.88 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.868 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -123.84 105.9 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.141 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.858 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 2.7 ptt180 -98.19 163.25 12.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.679 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.575 ' SG ' ' NH1' ' A' ' 35' ' ' ARG . 5.4 t -107.4 115.48 30.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.904 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.758 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -68.21 -154.79 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.508 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.47 -29.21 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.332 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 t -128.36 7.78 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.42 165.12 27.56 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.579 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -134.75 25.53 3.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.743 0.306 . . . . 0.0 110.79 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.868 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 40.4 m80 -130.47 50.26 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.168 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.758 ' CD1' ' H ' ' A' ' 7' ' ' GLY . 1.8 mp -99.71 127.89 45.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HG3' ' HG2' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -99.59 118.26 35.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.778 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.858 ' HB ' ' NE ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -120.81 148.42 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.249 -179.787 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.453 ' N ' HG12 ' A' ' 15' ' ' ILE . 17.7 m -95.76 132.14 41.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.6 m -82.11 156.15 24.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.3 m -86.62 169.74 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.52 -17.48 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -38.75 16.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.463 ' H ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -107.65 126.08 52.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.597 ' O ' ' HE2' ' A' ' 1' ' ' MET . 81.3 p -134.44 8.1 3.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.451 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.521 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 6.9 m-85 -106.6 154.23 21.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.026 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.613 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 48.5 m -117.31 101.32 8.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.304 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.613 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -103.45 133.38 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.426 . . . . 0.0 111.609 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -127.12 100.73 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.144 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.884 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 60.1 t90 -99.79 142.76 30.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.266 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.009 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -135.53 129.98 33.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.773 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 1.009 ' N ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -108.93 119.47 39.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.018 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -76.73 -10.36 59.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.848 HD12 ' N ' ' A' ' 31' ' ' ILE . 1.1 mp -100.54 -50.02 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.981 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.733 ' O ' ' N ' ' A' ' 34' ' ' GLU . 40.5 t -98.08 11.85 36.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.694 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.479 ' HA ' ' O ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER 37.51 15.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.052 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.733 ' N ' ' O ' ' A' ' 32' ' ' SER . 1.5 tp10 -85.99 136.41 33.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.575 ' NH1' ' SG ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -122.25 126.18 47.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.191 -179.788 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.722 ' CE3' ' CD2' ' A' ' 27' ' ' TRP . 13.8 m0 -99.84 84.17 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.671 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 11.2 mp -101.46 125.63 48.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.613 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 172.66 -168.41 41.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.623 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 77.4 m -99.46 142.71 30.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.819 0.343 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.26 161.06 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.865 ' HE3' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -79.45 -27.07 41.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.585 HG23 ' NZ ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -134.5 -176.3 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.57 179.811 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.482 ' N ' ' OG1' ' A' ' 42' ' ' THR . 26.7 t -102.49 149.69 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.973 0.416 . . . . 0.0 111.139 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.813 ' O ' HG13 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -134.75 37.2 3.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.617 179.78 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.07 130.68 4.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.071 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.956 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 14.2 mt -140.25 76.91 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.069 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 7.7 p-10 -93.83 90.02 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.1 p -108.51 -134.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.678 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -103.41 -31.27 10.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.841 ' H ' ' ND2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -120.57 -26.88 5.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.248 -179.647 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.635 ' H ' HD22 ' A' ' 50' ' ' ASN . 3.4 t -99.63 143.93 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.362 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -140.3 106.39 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.264 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.956 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 6.3 t30 -113.02 122.41 47.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.243 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.654 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -130.21 124.26 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.995 0.426 . . . . 0.0 111.824 -179.301 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.654 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -105.61 151.34 24.48 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.624 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.94 146.18 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 111.142 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -101.09 9.25 42.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.754 ' O ' ' SD ' ' A' ' 1' ' ' MET . 1.5 p -107.68 -179.26 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.812 ' OD1' HD12 ' A' ' 60' ' ' LEU . 20.7 t-20 -70.87 151.22 44.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.812 HD12 ' OD1' ' A' ' 59' ' ' ASN . 0.7 OUTLIER 12.51 50.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.314 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.734 ' N ' ' O ' ' A' ' 59' ' ' ASN . 39.0 t -73.1 7.78 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 0.0 110.646 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.487 ' OD1' ' C ' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -125.13 119.61 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.81 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.774 ' HE2' ' C ' ' A' ' 22' ' ' THR . 1.3 ttp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -122.81 144.39 49.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.552 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 1.8 m -113.89 -175.57 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.723 ' OH ' ' ND1' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -126.63 106.9 9.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.779 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.94 154.68 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.52 114.59 28.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.595 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -68.91 -133.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.583 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.85 -36.11 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.845 0.355 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -126.54 2.87 6.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.79 144.59 16.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.602 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.2 38.32 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.776 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.723 ' ND1' ' OH ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -139.54 49.3 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.765 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.779 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.6 mp -99.56 131.88 45.27 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.65 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.79 117.1 33.39 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.732 ' CG2' ' HD3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -114.3 154.58 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.644 ' N ' HG12 ' A' ' 15' ' ' ILE . 30.0 m -102.06 114.77 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.557 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 1.9 m -89.39 120.79 31.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -175.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.38 -10.33 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.088 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -49.35 15.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -105.09 128.28 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.774 ' C ' ' HE2' ' A' ' 1' ' ' MET . 0.1 OUTLIER -131.9 -7.91 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.153 -179.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.695 ' CE1' HG22 ' A' ' 57' ' ' THR . 3.6 m-30 -100.39 147.04 26.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.962 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.647 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . 6.3 m -113.21 103.98 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.764 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.7 OUTLIER -100.42 125.26 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 1.006 ' HB2' ' HB2' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -123.55 101.65 7.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.914 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 63.2 t90 -100.0 139.4 35.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.01 HD13 ' HD2' ' A' ' 35' ' ' ARG . 2.0 tp -130.36 127.62 39.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.883 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.914 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 8.4 t-20 -105.22 115.66 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.3 mtpt -87.77 19.91 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.523 ' HB ' HD21 ' A' ' 29' ' ' ASN . 17.4 mm -113.1 -44.32 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.223 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.611 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 11.0 t -117.52 -21.44 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.611 ' CB ' ' O ' ' A' ' 32' ' ' SER . 0.4 OUTLIER 93.07 18.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.674 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -88.14 131.3 34.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.827 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 1.01 ' HD2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -122.66 134.53 54.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.99 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.764 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 10.6 m0 -108.14 84.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.681 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.88 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 11.0 mp -103.81 130.99 51.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.003 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.48 -173.81 46.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 1.7 m -99.35 135.14 41.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 111.055 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.667 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -136.37 171.25 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.022 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.465 ' H ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -86.95 -41.48 13.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -113.64 -158.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.5 ' N ' ' OG1' ' A' ' 42' ' ' THR . 31.8 t -118.84 151.04 38.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.78 ' O ' HG13 ' A' ' 46' ' ' ILE . 2.8 t -135.37 24.86 3.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.686 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.777 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.83 132.42 0.33 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.78 HG13 ' O ' ' A' ' 44' ' ' THR . 5.8 mt -138.9 74.63 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.428 ' OD2' ' OE2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -92.92 104.68 16.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.328 -179.697 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 p -126.23 -127.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.318 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.791 ' CE3' ' ND2' ' A' ' 50' ' ' ASN . 0.4 OUTLIER -111.52 -26.41 9.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.705 179.78 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.849 HD22 ' N ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -124.25 -30.64 3.41 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.844 HG13 ' HE1' ' A' ' 27' ' ' TRP . 34.1 t -102.79 123.33 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.156 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.571 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -127.27 104.25 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.225 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.778 ' OD1' ' HB2' ' A' ' 27' ' ' TRP . 19.2 t30 -112.44 132.92 54.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.241 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.776 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.5 OUTLIER -134.13 125.08 27.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.39 . . . . 0.0 111.783 -179.349 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.776 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -100.48 149.95 23.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.44 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.02 170.48 15.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.882 0.372 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.695 HG22 ' CE1' ' A' ' 23' ' ' PHE . 1.5 p -138.16 21.98 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.831 HG23 ' H ' ' A' ' 59' ' ' ASN . 13.5 t -110.18 -127.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.831 ' H ' HG23 ' A' ' 58' ' ' THR . 6.5 t-20 -118.96 136.32 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.708 ' O ' HG22 ' A' ' 63' ' ' THR . 57.9 mt 20.24 41.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.034 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.737 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.4 OUTLIER -64.84 -30.81 71.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.73 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 1.006 ' HB2' ' HB2' ' A' ' 26' ' ' LYS . 21.7 p-10 -97.32 76.99 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.798 ' HG2' HD22 ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.741 0.305 . . . . 0.0 111.187 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 1.002 ' HG3' HD21 ' A' ' 59' ' ' ASN . 0.0 OUTLIER -100.1 141.18 33.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.0 m -114.27 -179.01 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.783 ' HB2' ' O ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -114.56 101.97 9.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.619 179.825 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.923 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -101.49 -169.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 -179.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.676 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 2.4 t -123.28 119.64 30.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.07 -145.35 1.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.748 HG13 ' N ' ' A' ' 9' ' ' SER . 9.1 p -73.73 -57.37 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.748 ' N ' HG13 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -118.38 5.59 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -120.15 169.14 13.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.409 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.676 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -139.54 4.71 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 111.223 -179.824 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.451 ' C ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -111.81 48.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.998 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.923 ' HB2' ' HD3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -99.49 129.73 45.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.831 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.828 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -99.57 106.81 18.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.014 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.573 HG12 ' N ' ' A' ' 16' ' ' THR . 2.6 tt -101.87 161.34 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.573 ' N ' HG12 ' A' ' 15' ' ' ILE . 1.8 m -111.96 117.79 33.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.544 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -118.58 137.76 53.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.735 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -166.98 137.9 3.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.126 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 95.26 -41.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.043 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.758 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -110.39 -59.7 1.91 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.838 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.36 141.42 35.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.798 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.07 -12.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 7.8 m-85 -105.18 143.79 32.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.0 m -106.76 97.42 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.712 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -99.66 133.93 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.317 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.894 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 1.2 ptmt -132.15 104.6 6.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.726 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.978 ' NE1' HG13 ' A' ' 51' ' ' VAL . 16.6 t90 -99.68 140.96 33.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.757 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.511 HD12 ' H ' ' A' ' 29' ' ' ASN . 19.9 tp -128.54 134.72 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.366 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.932 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 2.1 t-20 -112.84 116.8 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.831 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' HB3' ' HE2' ' A' ' 30' ' ' LYS . 14.6 mtpt -86.43 13.79 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.062 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.523 ' HB ' HD21 ' A' ' 29' ' ' ASN . 4.0 mm -117.61 -34.88 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.473 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.607 ' HB2' ' OD1' ' A' ' 29' ' ' ASN . 0.6 OUTLIER -122.54 -3.67 8.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.8 t30 67.22 16.68 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.758 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.734 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 0.1 OUTLIER -81.69 129.8 34.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.517 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 13.9 mtm180 -122.84 120.37 33.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.773 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 11.6 m0 -99.82 83.79 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.853 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 10.9 mp -104.83 135.66 45.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.29 -175.13 44.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.429 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.838 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.38 124.53 44.58 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.977 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.86 170.75 9.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.758 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -85.44 -31.67 22.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.736 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.13 -163.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.694 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.1 t -122.37 136.76 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.781 ' O ' HG23 ' A' ' 44' ' ' THR . 0.9 OUTLIER -126.98 37.77 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.883 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -37.03 136.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.916 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 4.8 mt -136.11 78.33 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.058 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.55 79.89 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.024 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' HB ' ' A' ' 51' ' ' VAL . 9.0 p -105.85 -134.69 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.697 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.785 ' CH2' ' ND2' ' A' ' 50' ' ' ASN . 1.0 OUTLIER -101.96 -42.29 6.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.711 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.785 ' ND2' ' CH2' ' A' ' 49' ' ' TRP . 2.6 p30 -109.62 -24.22 11.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.978 HG13 ' NE1' ' A' ' 27' ' ' TRP . 99.0 t -99.66 138.35 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.051 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' O ' ' CG ' ' A' ' 52' ' ' TYR . 4.5 t80 -139.47 94.17 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.916 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 34.9 t30 -103.95 125.96 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.618 ' HD3' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -131.92 122.35 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.281 -179.615 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.618 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 1.8 m -99.86 147.2 25.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.807 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -133.95 156.01 48.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.0 p -121.48 12.78 10.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.586 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -120.99 145.22 47.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 1.002 HD21 ' HG3' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -37.7 149.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.696 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.795 HD11 ' HE2' ' A' ' 14' ' ' LYS . 61.0 mt 18.19 56.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.763 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.586 ' HB2' ' O ' ' A' ' 58' ' ' THR . 43.6 t -92.3 -22.4 19.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.903 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.894 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 1.8 p-10 -102.92 117.25 34.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.718 HG23 ' OXT' ' A' ' 63' ' ' THR . 13.9 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.758 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.862 0.363 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.659 ' CD ' ' HB2' ' A' ' 14' ' ' LYS . 32.9 tt0 -107.68 140.45 40.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.771 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 m -116.59 170.09 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.976 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -110.17 99.02 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.931 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -101.43 -161.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.616 ' C ' HD13 ' A' ' 13' ' ' LEU . 1.8 t -126.67 159.4 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.486 ' N ' HD13 ' A' ' 13' ' ' LEU . . . -113.77 -106.56 2.73 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.441 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -130.06 -35.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -122.6 -13.63 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.77 148.8 18.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.332 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.557 ' O ' ' HD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -117.45 41.29 2.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.372 . . . . 0.0 110.94 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.557 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 20.3 m170 -139.23 52.17 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.616 HD13 ' C ' ' A' ' 6' ' ' CYS . 4.6 mp -99.41 127.24 45.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HB2' ' CD ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -98.91 102.21 13.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.058 -179.5 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.585 HG22 ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -110.89 121.08 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 2' ' ' GLU . 3.4 m -89.82 125.58 35.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.758 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -47.65 169.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.518 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -92.83 39.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 72.34 -25.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.202 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -66.79 -48.43 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.61 ' HB3' ' C ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -102.01 155.01 18.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.71 ' C ' ' HE2' ' A' ' 1' ' ' MET . 65.8 p -138.63 3.56 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.563 ' CD2' ' O ' ' A' ' 56' ' ' CYS . 9.0 m-85 -99.81 150.38 22.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.601 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 17.2 m -113.49 102.78 10.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.454 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.659 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 5.8 p90 -99.87 128.54 45.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.213 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 1.013 ' HD2' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -126.18 99.16 5.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.418 179.698 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.965 ' HE1' HG13 ' A' ' 51' ' ' VAL . 45.8 t90 -103.56 147.43 27.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.034 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' ' 35' ' ' ARG . 19.8 tp -139.82 133.5 30.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.936 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 6.5 t-20 -112.23 105.4 13.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 2.67 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mm -100.03 -55.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.569 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 8.5 t -91.2 -26.46 19.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.722 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 32' ' ' SER . 7.9 t30 88.82 10.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.699 ' OE1' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -96.17 143.93 26.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.795 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.699 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -127.74 142.86 51.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.987 0.422 . . . . 0.0 111.106 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.68 ' CE3' ' CD2' ' A' ' 27' ' ' TRP . 9.4 m0 -106.3 84.82 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.62 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.976 HD23 ' O ' ' A' ' 4' ' ' TYR . 11.1 mp -104.66 127.54 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.056 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' C ' ' CE1' ' A' ' 25' ' ' TYR . . . 169.98 -161.68 34.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 19.9 m -99.68 147.31 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.61 ' C ' ' HB3' ' A' ' 21' ' ' GLU . . . -140.98 160.56 39.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.22 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.883 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -89.17 -25.22 21.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.485 ' HB ' ' H ' ' A' ' 43' ' ' CYS . 0.6 OUTLIER -128.77 -154.28 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.559 179.749 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.485 ' H ' ' HB ' ' A' ' 42' ' ' THR . 28.0 t -122.04 138.09 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.059 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.701 HG23 ' ND2' ' A' ' 53' ' ' ASN . 6.5 t -124.91 30.61 5.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.637 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.889 ' HA ' HD22 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -45.63 128.89 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.896 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.639 HG21 HG11 ' A' ' 51' ' ' VAL . 4.7 mt -138.62 82.75 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.992 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -95.32 92.99 7.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.4 p -118.18 -131.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.476 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.679 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -107.76 -36.18 6.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.941 179.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.828 ' H ' ' ND2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -115.56 -23.44 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.184 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.965 HG13 ' HE1' ' A' ' 27' ' ' TRP . 51.4 t -104.33 126.56 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.364 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -130.95 101.71 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.002 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.889 HD22 ' HA ' ' A' ' 45' ' ' GLU . 5.5 t30 -117.08 127.66 54.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.508 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 1.013 ' HD3' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -125.85 128.3 47.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 111.365 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -99.84 141.81 32.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.666 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.563 ' O ' ' CD2' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -131.88 175.23 9.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.958 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.486 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.5 OUTLIER -139.99 16.2 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.299 -179.624 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.62 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 81.4 p -126.27 151.92 46.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.922 0.391 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.726 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 0.1 OUTLIER -40.83 149.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.608 ' C ' ' O ' ' A' ' 59' ' ' ASN . 60.7 mt 17.52 59.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 58' ' ' THR . 9.1 t -81.99 -1.42 48.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.797 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -129.51 128.3 42.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.774 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.643 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 2.2 ttt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.886 0.374 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.863 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -103.92 154.9 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 1.8 m -112.86 -172.61 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.594 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.827 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -138.12 115.56 11.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.47 179.748 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.982 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -111.09 171.66 7.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 -179.664 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 1.8 t -112.37 130.8 55.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -89.47 -172.07 45.45 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.403 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.76 HG13 ' N ' ' A' ' 9' ' ' SER . 13.1 p -45.78 -60.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.76 ' N ' HG13 ' A' ' 8' ' ' VAL . 2.1 t -125.32 26.35 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.795 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -138.73 157.99 24.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -137.5 24.97 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.874 -179.856 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -120.79 46.26 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.602 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 1.8 mp -99.67 119.64 38.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.692 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HA ' ' HD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -98.64 111.33 23.73 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 -179.39 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.868 ' CG2' ' HD2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -104.43 169.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.601 ' N ' ' CG1' ' A' ' 15' ' ' ILE . 3.2 m -125.46 116.33 21.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -79.28 175.31 10.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.628 ' O ' ' N ' ' A' ' 20' ' ' GLU . 56.0 m -126.71 161.51 27.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -31.27 -30.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.633 ' OE1' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -65.52 -50.9 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.702 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -109.65 133.93 52.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.553 ' O ' ' CE ' ' A' ' 1' ' ' MET . 17.1 p -135.95 -2.99 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.73 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.749 ' HE1' HG22 ' A' ' 57' ' ' THR . 1.2 m-85 -100.48 148.05 25.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.982 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.643 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 5.7 m -118.0 97.07 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.366 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.596 ' H ' ' HD1' ' A' ' 25' ' ' TYR . 0.7 OUTLIER -99.76 133.39 44.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.065 0.459 . . . . 0.0 111.382 -179.51 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.897 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -125.83 103.7 7.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.47 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 1.015 ' NE1' HG13 ' A' ' 51' ' ' VAL . 12.2 t90 -106.49 146.93 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.601 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 18.6 tp -138.07 135.59 35.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.965 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 48.2 t-20 -114.5 97.37 6.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.035 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.559 ' HZ3' ' HB2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -61.61 11.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.845 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.612 ' H ' ' C ' ' A' ' 29' ' ' ASN . 13.8 mm -116.02 -53.83 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.524 ' H ' ' CG ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -95.65 5.61 51.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t30 52.88 9.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 28.9 tt0 -86.1 138.23 32.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.601 ' HG2' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.08 129.01 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.813 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 13.2 m0 -99.99 83.42 2.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.982 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 5.7 mp -105.62 117.28 33.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.492 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . -179.37 -171.86 42.91 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.596 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.9 m -99.5 140.66 33.36 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.0 111.017 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -138.34 165.03 27.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.633 ' HD2' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -75.14 -24.55 57.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.51 ' CA ' ' HD2' ' A' ' 23' ' ' PHE . 10.7 p -136.9 -155.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 7.6 t -111.74 149.85 31.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.824 ' O ' HG13 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -130.42 26.25 5.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.744 ' CA ' HD22 ' A' ' 53' ' ' ASN . 0.3 OUTLIER -41.4 132.35 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.824 HG13 ' O ' ' A' ' 44' ' ' THR . 15.9 mt -140.16 98.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.251 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.01 103.65 15.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.652 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -129.51 -149.6 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.397 179.758 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.678 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 1.5 p-90 -96.73 -26.4 15.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 0.0 110.793 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.812 HD22 ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -128.48 -18.88 3.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.809 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.015 HG13 ' NE1' ' A' ' 27' ' ' TRP . 52.7 t -107.0 117.48 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.504 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' A' ' 46' ' ' ILE . 2.0 t80 -127.37 108.74 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.79 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.81 HD21 HG22 ' A' ' 44' ' ' THR . 26.4 t30 -117.67 131.48 56.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.476 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.576 ' HD2' ' HD2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -129.27 124.87 35.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 111.247 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.513 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.6 m -99.32 148.08 24.53 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.773 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -137.04 159.91 40.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.094 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.749 HG22 ' HE1' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -121.01 30.37 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.631 ' OG1' ' HB2' ' A' ' 61' ' ' CYS . 4.2 p -132.85 167.81 19.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.9 ' ND2' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -51.33 140.65 16.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.9 HD12 ' ND2' ' A' ' 59' ' ' ASN . 1.2 mp 18.83 42.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.734 ' N ' ' O ' ' A' ' 59' ' ' ASN . 8.6 t -64.86 -13.36 56.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.717 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.897 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 17.1 p-10 -111.86 76.46 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.655 HG22 ' CD2' ' A' ' 4' ' ' TYR . 62.7 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.625 ' SD ' ' O ' ' A' ' 22' ' ' THR . 15.5 ttp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.82 0.343 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.871 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -136.85 153.35 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 10.8 m -131.51 178.19 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.727 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -128.79 106.91 9.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.793 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.784 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -95.53 174.56 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.997 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -114.36 154.59 27.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.04 -170.99 12.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.449 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.31 3.39 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 111.194 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 t -147.47 -20.89 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.802 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.751 ' O ' HD11 ' A' ' 13' ' ' LEU . . . -145.84 125.19 2.23 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.551 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t -100.04 36.4 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 110.783 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.727 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -137.01 52.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.875 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.751 HD11 ' O ' ' A' ' 10' ' ' GLY . 3.4 mp -99.2 125.39 44.77 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.647 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.664 ' HB2' ' OE1' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -98.91 115.92 29.96 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.248 -179.317 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.871 ' O ' ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -109.73 148.51 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.728 179.643 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.669 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -105.41 118.43 36.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.154 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 21.5 p -112.7 116.86 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.706 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.729 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -152.7 134.19 14.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 94.25 -40.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -59.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.776 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.845 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -111.27 132.08 54.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.625 ' O ' ' SD ' ' A' ' 1' ' ' MET . 1.3 p -128.09 -5.29 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.017 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.786 ' CE2' HG22 ' A' ' 57' ' ' THR . 9.3 m-85 -101.48 162.54 12.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.593 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -122.24 99.38 6.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.481 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.656 ' HE1' ' CB ' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -102.45 135.85 43.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.269 -179.537 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.39 105.63 8.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.948 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 31.9 t90 -103.81 147.03 27.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.678 HD12 ' N ' ' A' ' 29' ' ' ASN . 3.3 tp -138.35 130.28 28.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 111.097 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.948 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 62.0 t-20 -108.83 109.57 20.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.678 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 1.6 mtmt -76.85 12.99 1.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.012 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.523 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 13.2 mm -114.36 -47.09 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.0 15.62 22.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.099 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 45.47 23.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.584 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 1.3 mt-10 -104.78 130.06 52.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.717 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.645 ' HA ' ' CE3' ' A' ' 27' ' ' TRP . 1.2 ptt180 -128.97 148.65 50.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.293 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.739 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 7.4 m0 -107.13 94.0 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.696 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.757 ' CB ' HD21 ' A' ' 62' ' ' ASN . 4.3 mp -104.47 118.75 37.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.83 -164.44 37.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.542 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 12.5 m -99.8 151.61 21.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.649 ' HB2' ' HD2' ' A' ' 25' ' ' TYR . . . -140.83 160.65 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.224 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.921 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.29 -25.19 46.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.062 0.458 . . . . 0.0 110.286 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.7 p -140.01 -168.5 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.397 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.81 137.69 38.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.935 0.397 . . . . 0.0 110.997 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.831 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -123.88 29.66 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.815 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.755 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -40.95 132.99 2.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.818 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 40.5 mt -140.28 86.67 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.15 84.85 3.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -100.92 -143.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.663 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -106.34 -18.77 13.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.704 179.753 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.803 HD22 ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -125.17 -29.92 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.76 HG11 ' HE1' ' A' ' 27' ' ' TRP . 2.5 t -106.83 146.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.98 0.419 . . . . 0.0 111.391 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -140.33 113.23 8.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.818 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -117.25 130.39 56.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.417 179.798 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.87 126.9 35.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.961 0.41 . . . . 0.0 111.582 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.44 150.48 22.59 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.55 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.572 ' SG ' HG23 ' A' ' 58' ' ' THR . 0.1 OUTLIER -145.32 177.47 8.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.988 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.786 HG22 ' CE2' ' A' ' 23' ' ' PHE . 10.5 p -135.84 37.14 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.648 ' OG1' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -124.14 172.8 8.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.776 HD21 ' HB2' ' A' ' 2' ' ' GLU . 6.9 t-20 -76.96 150.07 35.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.644 HD21 ' OE1' ' A' ' 2' ' ' GLU . 64.0 mt 21.07 47.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.648 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 1.9 p -81.99 -13.27 57.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.757 HD21 ' CB ' ' A' ' 37' ' ' LEU . 12.5 t30 -97.1 97.77 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.017 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.82 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tmm? . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.796 0.331 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.49 144.16 43.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -118.97 -175.57 2.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.995 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.803 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -124.4 102.67 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.924 ' HG2' HG22 ' A' ' 15' ' ' ILE . 5.8 ptt180 -95.48 171.93 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 t -119.53 115.7 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.13 -135.32 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.75 -13.75 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.358 . . . . 0.0 111.038 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.9 t -142.9 -16.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.41 153.8 17.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.382 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.68 28.09 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.803 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -131.99 47.93 2.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 4' ' ' TYR . 4.9 mp -99.54 131.36 45.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.012 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.825 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.57 105.75 17.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.924 HG22 ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -101.69 169.62 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.814 ' H ' HG12 ' A' ' 15' ' ' ILE . 3.9 m -115.82 116.38 27.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.15 112.08 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -48.2 165.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.736 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.83 -8.88 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.873 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.76 -45.53 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.8 127.53 51.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.43 1.4 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.725 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-85 -102.86 147.16 27.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -116.43 100.91 8.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.424 179.649 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.845 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -99.55 132.46 44.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.461 -179.498 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.913 ' HD3' ' HD2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -129.47 98.93 5.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.351 179.53 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.92 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 40.8 t90 -99.46 137.89 37.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.926 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.5 OUTLIER -123.82 130.13 52.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.054 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.926 ' N ' HD12 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -109.53 92.49 4.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 25.1 mtpt -64.89 19.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.032 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.615 ' H ' ' C ' ' A' ' 29' ' ' ASN . 11.2 mm -118.7 -53.78 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -106.49 25.75 10.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' SER . 8.1 t-20 37.38 30.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.771 ' HG2' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -113.32 135.24 54.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.645 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.704 ' HG3' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -129.51 144.18 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.918 0.39 . . . . 0.0 111.225 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.845 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 7.4 m0 -101.99 88.3 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.635 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.704 HD13 ' HG3' ' A' ' 35' ' ' ARG . 7.2 mp -101.17 129.33 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.672 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 167.79 -176.54 42.42 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.428 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.638 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 1.7 m -99.51 140.83 33.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.868 0.365 . . . . 0.0 111.105 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.725 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.98 176.27 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.065 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.873 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -82.58 -58.11 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.9 p -104.51 -172.0 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.7 t -109.75 149.16 30.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.033 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.831 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -138.57 33.23 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.874 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -35.8 132.8 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.722 HG13 ' O ' ' A' ' 44' ' ' THR . 18.5 mt -135.01 78.28 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.72 80.5 3.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.3 p -99.8 -132.81 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.764 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.673 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 1.1 p-90 -102.04 -36.24 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.164 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.864 HD22 ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -114.57 -29.29 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.418 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.78 HG13 ' CD1' ' A' ' 27' ' ' TRP . 4.2 t -99.5 140.37 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.931 0.396 . . . . 0.0 111.355 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.627 ' OH ' ' HE2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -140.17 97.48 3.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.995 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.874 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 60.2 t30 -107.87 131.93 53.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.476 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.913 ' HD2' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -134.86 128.54 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 111.378 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.22 149.71 23.72 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.49 160.64 38.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.965 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.3 p -119.46 10.46 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.428 ' HB ' ' H ' ' A' ' 59' ' ' ASN . 36.5 p -107.18 -161.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.719 ' O ' ' N ' ' A' ' 61' ' ' CYS . 18.8 t-20 -87.42 159.22 18.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.66 HD22 ' HD1' ' A' ' 4' ' ' TYR . 6.3 mt 13.27 51.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.719 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.9 OUTLIER -80.88 -3.87 52.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.775 ' OD1' ' HB3' ' A' ' 26' ' ' LYS . 1.4 t30 -117.19 70.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.631 ' OG1' ' CD2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.48 ' SD ' ' HA ' ' A' ' 22' ' ' THR . 3.1 ttt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.756 0.313 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.663 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 1.4 mt-10 -108.49 138.2 45.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -117.53 -171.99 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.716 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -122.96 105.04 9.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.824 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.773 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -101.25 164.68 11.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.861 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.8 t -111.93 114.22 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.714 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -68.65 -115.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.438 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 p -124.08 -31.21 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -127.82 1.63 6.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.426 ' O ' HD11 ' A' ' 13' ' ' LEU . . . -141.1 137.03 7.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.84 ' SG ' ' NH2' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -113.5 36.98 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.635 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 5.4 m170 -138.7 50.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.774 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.718 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 3.8 mp -99.64 133.09 44.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.709 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -102.27 112.35 25.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.876 HG12 ' N ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -110.71 166.19 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.174 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.876 ' N ' HG12 ' A' ' 15' ' ' ILE . 94.3 m -120.59 111.45 17.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.724 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -72.8 -152.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.036 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -163.44 171.11 16.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -35.66 -46.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.266 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.07 -54.64 44.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.862 ' HB2' ' HB2' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -103.21 102.79 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.97 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.48 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 1.2 p -112.06 -4.05 14.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.831 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.5 m-85 -101.54 158.32 16.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.03 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 t -124.99 98.5 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.712 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 8.6 p90 -99.77 137.48 38.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.216 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.86 ' HG3' ' OD1' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -129.11 98.87 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.324 179.457 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.966 ' NE1' HG13 ' A' ' 51' ' ' VAL . 34.6 t90 -99.51 142.24 31.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.017 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.973 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -131.34 128.92 40.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.973 ' N ' HD12 ' A' ' 28' ' ' LEU . 21.9 t-20 -109.33 105.34 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.5 36.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.74 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.854 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 3.4 mm -129.11 -46.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.345 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.21 19.05 7.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.128 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.5 t30 54.46 24.45 5.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.497 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -93.78 122.98 36.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.84 ' NH2' ' SG ' ' A' ' 11' ' ' CYS . 23.7 mtm180 -126.45 142.26 51.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.717 ' CD2' ' CE3' ' A' ' 27' ' ' TRP . 10.2 m0 -104.76 87.08 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.719 ' CG ' HD21 ' A' ' 62' ' ' ASN . 5.5 mp -102.24 113.8 27.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . -178.93 -176.91 47.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.282 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.862 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.7 m -99.45 125.35 45.16 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.881 0.372 . . . . 0.0 110.984 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.817 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -118.08 164.87 14.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.196 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.973 ' HD2' ' H ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -73.97 -42.62 60.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.973 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 36.7 p -132.79 138.75 47.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.9 t -44.42 153.25 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.306 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.753 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -140.14 23.62 2.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.543 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.65 132.31 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.13 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.728 HG13 ' O ' ' A' ' 44' ' ' THR . 11.0 mt -136.09 90.84 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.12 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -99.46 102.11 13.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.0 p -126.64 -138.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.762 ' CH2' ' ND2' ' A' ' 50' ' ' ASN . 5.1 p-90 -97.01 -37.83 10.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.118 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.762 ' ND2' ' CH2' ' A' ' 49' ' ' TRP . 1.2 p-10 -121.35 -18.9 7.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.295 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.966 HG13 ' NE1' ' A' ' 27' ' ' TRP . 46.0 t -99.81 125.88 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.295 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.867 ' HE1' ' HD3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -133.72 100.52 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.708 ' ND2' HG22 ' A' ' 44' ' ' THR . 31.7 t30 -114.53 130.56 56.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.581 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.867 ' HD3' ' HE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -128.31 127.94 43.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.149 -179.687 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -99.64 149.14 23.6 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.589 ' SG ' HG23 ' A' ' 58' ' ' THR . 0.0 OUTLIER -144.04 160.92 40.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.661 ' OG1' ' O ' ' A' ' 57' ' ' THR . 0.3 OUTLIER -124.37 42.72 3.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.092 0.472 . . . . 0.0 110.854 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.724 ' OG1' ' HB3' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -130.79 176.18 8.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.587 ' O ' ' C ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -80.03 150.17 30.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.018 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.587 ' C ' ' O ' ' A' ' 59' ' ' ASN . 6.8 mt 20.07 60.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.724 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 30.5 p -99.64 -22.75 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.86 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 5.3 t30 -90.65 73.17 6.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.001 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.794 ' CG ' ' HA ' ' A' ' 59' ' ' ASN . 2.6 ttp . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.82 0.343 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.656 ' C ' HD23 ' A' ' 60' ' ' LEU . 43.6 mt-10 -105.61 161.38 14.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.62 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 19.9 m -138.96 -178.46 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.814 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -118.41 102.3 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.98 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -103.26 166.52 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 1.9 t -103.51 123.94 47.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.692 ' N ' HD13 ' A' ' 13' ' ' LEU . . . -71.05 -156.36 2.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.352 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.455 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 0.2 OUTLIER -83.1 -13.81 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.07 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -150.08 -4.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.443 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -125.36 163.56 19.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.622 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -132.61 34.4 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.952 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.59 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 46.3 m170 -135.57 45.17 2.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.692 HD13 ' N ' ' A' ' 7' ' ' GLY . 2.9 mp -99.67 131.77 45.44 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -99.13 106.77 19.0 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.797 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.98 ' HB ' ' NE ' ' A' ' 5' ' ' ARG . 1.3 tt -99.83 171.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.931 ' N ' HG12 ' A' ' 15' ' ' ILE . 22.3 m -134.11 107.19 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.054 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.884 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -58.58 170.96 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.763 179.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 20' ' ' GLU . 16.7 m -117.46 163.82 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -35.29 -26.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.977 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -74.83 -48.53 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.75 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.884 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -107.29 122.1 45.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.595 ' O ' ' HE2' ' A' ' 1' ' ' MET . 6.5 p -126.15 -4.6 6.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.984 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.762 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 5.1 m-85 -99.93 161.12 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.39 99.18 7.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.771 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.683 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 1.2 p90 -100.61 140.22 35.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.419 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.703 ' HG3' ' OD1' ' A' ' 62' ' ' ASN . 3.5 ttpt -135.48 97.26 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.131 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.948 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 18.5 t90 -100.92 143.5 30.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.749 HD12 ' H ' ' A' ' 29' ' ' ASN . 1.8 tp -133.22 134.61 44.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.067 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.948 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 60.9 t-20 -113.88 112.26 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.752 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.839 ' HB3' ' HZ2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -76.35 10.42 2.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.446 HD11 ' OD1' ' A' ' 50' ' ' ASN . 25.6 mm -109.4 -55.37 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -104.56 24.07 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.527 ' OD1' ' O ' ' A' ' 33' ' ' ASN . 28.5 t-20 36.25 27.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.985 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.889 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 17.7 tt0 -99.2 136.47 39.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 138.04 50.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.999 0.428 . . . . 0.0 111.542 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.728 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 10.1 m0 -99.93 86.53 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.285 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 4' ' ' TYR . 5.5 mp -100.05 117.46 34.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.668 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 171.56 -166.3 39.3 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.064 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.649 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 17.9 m -103.01 150.51 23.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.008 0.433 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.762 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.53 151.67 44.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.088 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' HE2' ' H ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -66.38 -23.81 66.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.52 ' H ' ' HE2' ' A' ' 41' ' ' LYS . 10.2 p -138.89 -164.61 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.4 t -101.86 146.43 27.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 44' ' ' THR . 0.7 OUTLIER -134.14 29.78 3.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.901 ' HA ' HD22 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.6 133.53 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.951 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 7.5 mt -140.15 83.42 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.235 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.79 81.05 3.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.65 HG23 HG22 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -100.2 -139.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.765 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.678 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -93.59 -45.76 7.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.828 HD22 ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -114.59 -11.72 12.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.979 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.743 ' CG1' ' HE1' ' A' ' 27' ' ' TRP . 12.4 t -102.78 139.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.526 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.572 ' HE2' ' NZ ' ' A' ' 26' ' ' LYS . 1.8 t80 -140.13 105.39 5.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.951 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -115.77 130.7 56.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.545 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -131.98 125.46 31.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.352 -179.669 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.563 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -100.06 151.11 21.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.851 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.38 172.72 12.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.46 7.62 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.831 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -113.68 148.54 36.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.794 ' HA ' ' CG ' ' A' ' 1' ' ' MET . 1.2 t-20 -39.17 159.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.656 HD23 ' C ' ' A' ' 2' ' ' GLU . 39.1 mt 13.1 55.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.831 ' HB2' ' O ' ' A' ' 58' ' ' THR . 0.9 OUTLIER -81.45 -1.98 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.768 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.797 HD21 ' HG ' ' A' ' 37' ' ' LEU . 37.9 t30 -111.68 75.85 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.575 HG22 ' CG ' ' A' ' 4' ' ' TYR . 4.6 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.77 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.754 0.312 . . . . 0.0 111.255 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.618 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 43.4 mt-10 -99.78 132.56 45.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 28.0 m -108.82 -168.57 1.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.699 ' HD1' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -125.68 105.02 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.843 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.705 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.23 161.81 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.547 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.61 115.42 23.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.932 0.396 . . . . 0.0 111.101 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.8 34.84 2.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.385 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.711 HG12 ' N ' ' A' ' 9' ' ' SER . 0.6 OUTLIER 74.17 -58.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 111.119 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.711 ' N ' HG12 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -97.28 -9.6 27.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.99 125.29 3.35 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.394 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.8 38.61 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.952 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.07 38.43 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.297 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.705 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 2.8 mp -100.04 132.02 45.65 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.561 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -103.35 122.45 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 111.186 -179.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.703 HG12 ' N ' ' A' ' 16' ' ' THR . 0.1 OUTLIER -113.54 164.51 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.032 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.703 ' N ' HG12 ' A' ' 15' ' ' ILE . 51.3 m -125.72 107.29 10.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.992 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -99.49 106.31 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.699 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -139.45 128.19 23.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.037 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 85.64 -36.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -67.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.822 ' CB ' ' HB3' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -100.89 154.08 18.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.579 179.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -137.2 -13.98 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.175 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.724 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 10.0 m-85 -112.23 162.23 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.232 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.59 95.27 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.584 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.877 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 2.7 p90 -100.74 148.43 24.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.358 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.918 ' HE2' ' CE2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -139.07 99.66 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.536 179.613 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.918 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 33.5 t90 -100.21 146.14 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.052 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.173 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -133.67 131.85 40.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.016 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 1.173 ' N ' HD12 ' A' ' 28' ' ' LEU . 49.0 t30 -105.0 118.53 36.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 1.01 ' HE2' ' HA ' ' A' ' 50' ' ' ASN . 21.8 mtmt -80.88 22.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -133.1 -62.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.294 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.599 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -92.6 21.78 5.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.505 ' OD1' ' O ' ' A' ' 33' ' ' ASN . 25.4 t-20 37.95 22.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.67 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 2.4 mt-10 -89.22 128.89 35.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.724 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 1.017 ' NH2' HD22 ' A' ' 28' ' ' LEU . 1.9 ptp180 -125.56 134.81 51.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.019 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.877 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 13.5 m0 -99.89 84.76 2.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.629 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.651 ' CG ' HD21 ' A' ' 62' ' ' ASN . 7.7 mp -99.75 119.07 37.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.01 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.55 -166.95 39.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.822 ' HB3' ' CB ' ' A' ' 21' ' ' GLU . 34.3 m -100.51 150.05 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.957 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.564 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.76 167.15 22.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.01 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -32.86 23.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.725 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.56 144.75 44.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.708 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.3 t -61.74 148.25 43.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.808 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -139.99 25.85 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.836 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.76 139.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.934 HD12 ' CB ' ' A' ' 53' ' ' ASN . 1.9 mt -140.1 88.71 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.225 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -101.41 77.9 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.643 HG23 HG22 ' A' ' 46' ' ' ILE . 7.1 p -100.04 -124.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.739 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.897 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 2.7 p-90 -105.75 -49.14 3.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 1.01 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -109.27 -19.84 13.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.385 -179.491 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.739 HG13 ' CD1' ' A' ' 27' ' ' TRP . 5.2 t -99.85 132.07 46.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.901 0.381 . . . . 0.0 111.311 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.918 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 1.6 t80 -135.04 104.05 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.828 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.934 ' CB ' HD12 ' A' ' 46' ' ' ILE . 45.9 t30 -116.94 135.23 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.684 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.762 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -136.5 127.14 27.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.285 -179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.85 153.34 19.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.09 164.52 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.029 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.54 HG22 ' HE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -124.9 4.11 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.5 178.41 4.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.621 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -66.96 158.17 31.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.095 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.619 ' C ' ' O ' ' A' ' 59' ' ' ASN . 48.8 mt 13.99 54.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.322 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.621 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -80.82 -3.92 52.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.985 0.421 . . . . 0.0 110.505 179.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.651 HD21 ' CG ' ' A' ' 37' ' ' LEU . 10.5 t30 -106.55 97.57 7.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.779 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.703 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.857 0.361 . . . . 0.0 111.254 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 1.004 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -129.77 140.92 50.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 88.8 m -107.89 172.64 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.971 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -116.33 100.99 8.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.609 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.841 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.87 173.41 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.817 ' SG ' ' NH2' ' A' ' 35' ' ' ARG . 2.2 t -120.39 112.92 19.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.796 ' H ' HD11 ' A' ' 13' ' ' LEU . . . -68.54 -146.98 0.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.353 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 8' ' ' VAL . 2.5 p -79.15 -40.52 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.969 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 t -133.9 21.23 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -140.66 150.26 21.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.51 15.94 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.349 . . . . 0.0 110.969 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.727 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 49.0 m170 -117.2 50.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.841 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.1 mp -100.38 123.68 44.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.786 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -99.81 108.36 20.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.714 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.516 ' C ' ' HG2' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -115.52 146.59 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.242 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 1.004 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 5.1 m -90.28 125.76 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.744 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.626 ' SG ' ' SD ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -93.32 146.64 23.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.0 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.18 -177.26 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.26 -11.7 23.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.176 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -81.29 -50.04 10.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.531 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.11 101.45 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.566 ' C ' ' HE3' ' A' ' 1' ' ' MET . 5.4 p -107.7 2.87 24.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.679 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.632 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 3.5 m-85 -108.91 147.9 31.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.233 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.681 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 42.2 m -115.0 101.95 9.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.205 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.735 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 28.5 p90 -99.87 129.57 45.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.049 0.452 . . . . 0.0 111.713 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 1.0 ' HB3' ' HB2' ' A' ' 62' ' ' ASN . 4.0 ptmt -123.03 97.75 5.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.875 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.955 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 68.1 t90 -101.77 145.87 28.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.348 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.644 HD13 ' HG3' ' A' ' 35' ' ' ARG . 11.8 tp -138.82 128.71 25.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.811 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.955 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 15.4 t-20 -107.9 113.53 26.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.028 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.642 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -78.46 15.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.805 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.863 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 5.1 mm -103.89 -61.2 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.55 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 29.1 t -102.55 -15.86 16.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 32' ' ' SER . 0.4 OUTLIER 87.98 16.73 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.64 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 4.7 tt0 -84.45 129.38 34.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.967 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -117.8 127.81 54.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.738 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 8.1 m0 -100.04 82.42 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.971 HD23 ' O ' ' A' ' 4' ' ' TYR . 6.4 mp -104.11 122.62 45.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 177.09 -172.72 45.64 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 3.2 m -99.3 137.92 37.12 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.856 0.36 . . . . 0.0 111.034 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.632 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.97 168.83 18.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.032 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -80.19 -50.67 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.64 -158.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 16.0 t -116.34 135.28 54.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.806 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -113.28 23.44 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.803 ' HA ' HD22 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.75 123.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.771 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.962 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 20.8 mt -133.46 81.27 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.252 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.57 89.88 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.816 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.59 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 1.9 p -109.28 -132.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.871 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 2.1 p-90 -98.74 -49.5 4.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.674 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.871 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -110.91 -13.8 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.139 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.744 HG13 ' NE1' ' A' ' 27' ' ' TRP . 14.6 t -102.35 139.34 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.369 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.552 ' HE1' ' HB2' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -140.17 106.14 5.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.962 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 2.8 t30 -117.13 123.0 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.552 ' HB2' ' HE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -124.66 126.82 46.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.91 0.386 . . . . 0.0 111.51 -179.575 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 m -100.45 147.03 26.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.26 -177.96 5.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.1 p -140.16 2.57 1.91 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.322 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.831 HG23 ' SG ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -108.39 172.45 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.168 -179.818 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.675 ' ND2' ' H ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -58.34 155.52 11.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.623 ' C ' ' O ' ' A' ' 59' ' ' ASN . 1.2 mt 16.09 51.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.831 ' SG ' HG23 ' A' ' 58' ' ' THR . 0.6 OUTLIER -76.86 -28.5 55.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 1.0 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 19.9 p-10 -107.23 106.79 17.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.918 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.641 ' HG2' ' HA ' ' A' ' 59' ' ' ASN . 13.4 tmm? . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.82 0.343 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.462 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -105.84 143.2 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.98 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.83 -177.59 3.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.032 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.605 ' HE2' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -129.87 106.65 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.758 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.581 ' O ' HD13 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -100.79 177.87 4.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 45.1 t -133.51 109.07 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -75.29 -171.15 28.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.548 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 9' ' ' SER . 10.9 p -66.57 -40.23 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 111.278 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.441 ' N ' HG13 ' A' ' 8' ' ' VAL . 5.0 t -116.08 0.6 13.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.98 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.566 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -129.46 148.61 18.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.691 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -136.07 18.07 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.023 0.44 . . . . 0.0 110.617 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.58 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -136.02 48.63 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.388 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.982 HD12 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -98.85 128.15 44.97 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -179.45 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.73 122.45 42.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.992 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.689 HG13 ' N ' ' A' ' 16' ' ' THR . 0.3 OUTLIER -111.78 156.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.689 ' N ' HG13 ' A' ' 15' ' ' ILE . 4.4 m -112.3 104.61 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.041 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.068 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -75.94 137.25 40.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.744 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 20' ' ' GLU . 29.2 p -88.3 159.67 17.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.986 0.422 . . . . 0.0 110.987 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -29.88 -37.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -52.11 -50.75 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 1.068 ' HG3' ' HB3' ' A' ' 17' ' ' CYS . 3.7 pt-20 -114.44 138.59 50.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.11 -1.14 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.7 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-30 -99.8 153.94 18.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.849 ' SG ' ' HB3' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -118.28 103.34 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.741 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 2.8 p90 -99.86 132.02 45.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.025 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.604 ' HZ3' ' HA ' ' A' ' 62' ' ' ASN . 8.7 ttpt -132.86 99.69 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.729 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.938 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 29.6 t90 -101.43 144.8 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.879 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -133.08 133.65 43.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.938 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 10.8 t-20 -114.72 116.57 28.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.44 -2.99 41.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -105.85 -49.27 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.574 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 41.4 t -93.79 2.72 56.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 32' ' ' SER . 0.7 OUTLIER 48.44 14.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.929 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 1.1 tt0 -95.22 145.93 24.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.717 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.532 ' H ' ' HD2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -129.68 131.62 46.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.741 ' HB3' ' HE2' ' A' ' 25' ' ' TYR . 9.7 m0 -99.91 86.05 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.789 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 4' ' ' TYR . 9.6 mp -105.87 129.45 54.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.01 -168.0 41.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.63 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.565 ' HB2' ' OE2' ' A' ' 21' ' ' GLU . 4.9 m -99.28 141.82 31.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.7 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -138.5 153.9 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.227 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.862 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.88 -18.01 54.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.682 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.12 -170.57 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.634 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 29.1 t -101.91 145.72 28.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.054 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -134.45 30.55 3.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.796 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -45.6 128.03 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.864 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 8.1 mt -132.69 80.86 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.637 ' C ' ' OD1' ' A' ' 47' ' ' ASP . 2.3 t0 -93.49 100.22 12.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.7 p -120.57 -129.22 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.666 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -109.43 -39.07 5.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.687 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.886 HD22 ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -114.27 -19.58 11.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.963 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.924 HG13 ' NE1' ' A' ' 27' ' ' TRP . 24.1 t -104.25 139.3 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.443 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -140.0 100.29 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.864 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -112.39 125.74 54.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.41 179.53 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.844 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -127.4 128.65 46.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.552 -179.514 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.844 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -100.01 149.21 23.7 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.38 174.49 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -137.54 29.9 2.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.7 p -139.96 -177.79 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.039 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.705 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.6 OUTLIER -68.93 162.93 25.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 59' ' ' ASN . 18.2 mt 13.92 51.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.705 ' N ' ' O ' ' A' ' 59' ' ' ASN . 1.6 t -90.02 2.59 55.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.849 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 0.3 OUTLIER -121.28 32.92 5.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.968 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.873 ' SD ' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.762 0.315 . . . . 0.0 111.225 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 1.014 ' HG2' ' HA ' ' A' ' 16' ' ' THR . 8.6 mt-10 -99.98 142.3 31.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.735 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.7 m -123.52 168.19 12.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.055 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -101.13 92.15 4.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.609 179.791 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 1.095 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -89.97 170.54 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 3.3 t -112.9 135.62 53.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.751 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.537 ' H ' HD11 ' A' ' 13' ' ' LEU . . . -95.26 -133.23 7.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.554 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.578 ' CG1' ' N ' ' A' ' 9' ' ' SER . 2.0 p -86.61 -49.74 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.273 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.578 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 41.1 t -124.83 8.42 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.022 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.74 149.84 18.86 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.581 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -127.02 20.37 6.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.965 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.619 ' HA ' ' CD1' ' A' ' 4' ' ' TYR . 1.2 m170 -126.0 52.23 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.805 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.537 HD11 ' H ' ' A' ' 7' ' ' GLY . 3.3 mp -99.67 131.55 45.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.046 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.875 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -100.26 101.62 12.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.103 HD12 ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -106.84 135.6 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 1.014 ' HA ' ' HG2' ' A' ' 2' ' ' GLU . 48.3 m -96.11 114.14 25.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.103 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 3.6 m -116.95 137.24 52.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.52 ' C ' ' H ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -153.96 151.39 29.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 72.04 -31.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -108.17 -62.37 1.46 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.605 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 1.103 ' HG3' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -110.44 136.99 48.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.631 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 p -134.57 -8.6 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.165 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.784 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 2.8 m-85 -104.74 154.4 20.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.969 0.414 . . . . 0.0 111.233 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.733 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 60.8 m -110.67 95.91 5.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.145 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.943 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 10.1 p90 -99.8 137.78 37.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.031 0.443 . . . . 0.0 111.497 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.701 ' NZ ' ' CE2' ' A' ' 52' ' ' TYR . 2.7 ttpt -135.18 97.04 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.393 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.951 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 41.2 t90 -99.78 131.49 45.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.031 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.96 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -126.55 123.19 37.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.321 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.96 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.1 t-20 -107.39 110.18 22.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.78 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -70.83 -2.05 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.672 ' H ' ' ND2' ' A' ' 29' ' ' ASN . 41.1 mm -100.7 -60.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.236 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.714 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.5 t -95.93 22.82 6.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 32' ' ' SER . 0.0 OUTLIER 35.47 19.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.04 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.718 ' HB3' ' CZ3' ' A' ' 27' ' ' TRP . 2.0 mt-10 -86.38 134.89 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.613 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.667 ' HG2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -133.77 128.76 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.946 0.403 . . . . 0.0 111.355 -179.659 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.943 ' HB3' ' HE2' ' A' ' 25' ' ' TYR . 7.9 m0 -102.06 87.72 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.47 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.095 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 2.7 mp -104.01 127.78 51.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.434 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 159.94 -164.4 34.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.035 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.25 132.52 44.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.767 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -131.58 160.88 34.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.253 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.592 ' HE2' ' HA ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -84.35 -53.07 5.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.684 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 p -104.26 135.27 46.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.705 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.1 t -64.64 134.35 54.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.727 HG23 ' OD1' ' A' ' 53' ' ' ASN . 1.8 t -119.18 34.87 5.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.678 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.94 128.43 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.971 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 68.2 mt -140.03 75.44 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 79.06 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.5 p -99.96 -137.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.755 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.67 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 1.2 p-90 -100.52 -35.83 9.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.748 ' H ' ' ND2' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -113.19 -28.16 7.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.251 -179.812 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.752 HG13 ' CD1' ' A' ' 27' ' ' TRP . 40.8 t -99.77 142.81 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.701 ' CE2' ' NZ ' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -137.56 95.14 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.803 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.971 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -102.95 115.47 30.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.358 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.604 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -119.73 120.78 37.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 0.0 111.345 -179.561 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.24 142.29 31.92 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.0 173.28 11.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.857 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.73 0.52 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.572 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -103.26 161.79 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.873 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -50.6 153.96 1.49 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 59' ' ' ASN . 76.3 mt 15.49 47.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.732 ' N ' ' O ' ' A' ' 59' ' ' ASN . 2.7 t -70.02 -13.02 62.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.783 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -103.88 103.66 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.881 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.708 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 4.6 ttp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.799 0.333 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.844 ' HG2' ' HA ' ' A' ' 16' ' ' THR . 38.7 mt-10 -115.49 150.26 36.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.68 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.7 m -111.63 178.47 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.632 ' CD2' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -120.63 108.16 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.577 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.975 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 8.4 ptt85 -106.74 166.57 10.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.16 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 t -118.44 106.79 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.655 ' H ' HD13 ' A' ' 13' ' ' LEU . . . -66.16 -158.79 0.61 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.572 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -91.57 -12.95 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.796 0.331 . . . . 0.0 111.178 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.38 -17.49 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.69 154.32 20.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.612 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.86 20.5 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.829 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.615 ' CD2' ' CE1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -133.14 48.46 2.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.678 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.655 HD13 ' H ' ' A' ' 7' ' ' GLY . 4.5 mp -99.66 122.71 43.07 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.985 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.956 ' HE2' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -99.49 114.43 27.39 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.568 ' O ' ' HG2' ' A' ' 2' ' ' GLU . 1.1 tt -107.48 156.96 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.844 ' HA ' ' HG2' ' A' ' 2' ' ' GLU . 58.7 m -99.05 132.37 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.962 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.708 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -97.81 142.28 29.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -83.31 166.81 18.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.73 -35.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -50.08 66.89 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.676 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 23.1 mt-10 -100.98 116.11 32.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.835 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 t -130.78 5.59 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.956 ' HE1' HG22 ' A' ' 57' ' ' THR . 1.2 m-85 -100.99 161.01 13.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.702 ' HB3' ' HB3' ' A' ' 62' ' ' ASN . 1.3 m -123.29 100.61 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.47 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.476 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -102.55 135.93 43.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 111.523 -179.406 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -127.69 97.02 4.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.207 179.395 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.864 ' NE1' HG13 ' A' ' 51' ' ' VAL . 50.4 t90 -101.78 143.04 32.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.144 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.971 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -135.34 134.4 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.957 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.971 ' N ' HD12 ' A' ' 28' ' ' LEU . 27.5 t-20 -112.19 112.91 24.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -83.64 17.7 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.557 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 7.6 mm -115.03 -39.75 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.532 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 2.5 t -111.94 -20.29 12.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.9 t-20 85.73 15.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.667 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 4.4 tt0 -101.65 137.57 39.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 1.076 ' HG3' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -128.9 139.92 51.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.809 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 12.0 m0 -100.44 86.57 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.721 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.076 HD13 ' HG3' ' A' ' 35' ' ' ARG . 5.3 mp -104.74 127.29 52.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.467 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 166.51 -162.72 36.37 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.68 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 57.7 m -99.58 139.84 34.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.82 0.343 . . . . 0.0 110.816 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.829 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -137.73 146.87 44.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.078 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.778 ' HD2' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -70.64 -17.63 62.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.778 HG23 ' HD2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -138.61 -155.92 0.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.612 ' N ' ' OG1' ' A' ' 42' ' ' THR . 39.3 t -135.39 140.42 44.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.734 ' O ' HG23 ' A' ' 44' ' ' THR . 1.1 t -131.08 34.98 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.869 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -37.24 131.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 44' ' ' THR . 7.0 mt -137.83 90.22 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.35 101.51 12.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.0 p -127.42 -137.3 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.53 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.664 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -106.49 -21.63 13.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.79 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.779 HD22 ' H ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -123.55 -32.02 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.864 HG13 ' NE1' ' A' ' 27' ' ' TRP . 54.4 t -99.7 135.98 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -140.09 96.84 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.772 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.869 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 48.6 t30 -113.14 125.12 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.557 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.498 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -131.68 126.84 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 111.56 -179.676 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.69 151.81 21.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.786 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.606 ' SG ' ' OG1' ' A' ' 58' ' ' THR . 0.0 OUTLIER -150.08 159.4 44.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.046 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.956 HG22 ' HE1' ' A' ' 23' ' ' PHE . 4.1 p -115.07 51.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.035 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.859 ' O ' ' HB3' ' A' ' 61' ' ' CYS . 1.0 OUTLIER -139.58 132.96 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.729 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -40.23 153.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.956 HD11 ' HE2' ' A' ' 14' ' ' LYS . 77.9 mt 12.02 52.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.859 ' HB3' ' O ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -98.14 -21.87 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.702 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 1.7 p-10 -99.53 98.78 9.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.958 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.777 0.322 . . . . 0.0 111.165 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.958 ' N ' ' HG2' ' A' ' 1' ' ' MET . 9.0 mt-10 -103.74 156.06 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.041 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 59.7 m -123.42 -179.45 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.578 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.015 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -129.63 109.93 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.606 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.82 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 10.8 ptt180 -93.83 164.96 12.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -121.98 146.28 47.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.742 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.03 -159.72 12.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.576 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 p -88.22 -30.27 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.341 . . . . 0.0 111.163 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.08 0.09 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.26 123.29 1.97 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.582 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -114.49 37.91 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.495 ' C ' ' HE1' ' A' ' 4' ' ' TYR . 18.5 m80 -135.04 50.68 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.82 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.7 mp -99.7 129.09 45.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.692 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -103.59 113.29 26.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.885 HD11 ' SG ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -99.72 150.33 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.715 179.769 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.545 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -104.83 123.15 47.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.987 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.758 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -116.67 110.72 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.859 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.594 ' C ' ' H ' ' A' ' 20' ' ' GLU . 1.2 m -148.86 135.11 19.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 68.04 -29.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.594 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -101.29 -63.61 1.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.646 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.893 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -111.25 150.63 29.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.58 -10.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.721 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.532 ' CE1' HG22 ' A' ' 57' ' ' THR . 2.2 m-30 -110.43 163.45 13.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.076 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.552 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 5.9 m -125.69 97.58 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.303 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.765 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 4.2 p90 -100.69 127.33 47.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.475 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.908 ' HB3' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -126.72 104.96 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.287 179.456 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.947 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 42.2 t90 -99.54 145.14 27.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.057 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.835 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -130.83 120.2 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.947 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -100.03 110.18 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.747 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -79.85 11.06 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 mm -114.38 -53.06 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.655 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 1.0 OUTLIER -98.1 -15.89 19.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.655 ' HB3' ' O ' ' A' ' 32' ' ' SER . 26.0 t30 78.77 12.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.825 ' HG2' ' HZ3' ' A' ' 27' ' ' TRP . 37.4 tt0 -87.87 132.86 34.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.796 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.651 ' HD3' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -124.8 140.86 52.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.048 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.765 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 8.5 m0 -106.94 78.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.784 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.015 HD23 ' O ' ' A' ' 4' ' ' TYR . 1.2 mp -99.95 106.9 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.15 -167.06 32.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.893 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 3.6 m -99.44 138.11 36.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 111.035 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.08 176.16 8.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.515 ' HB2' ' HZ2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -93.88 -53.29 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.816 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.1 p -110.08 140.73 43.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.783 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.0 t -62.87 147.63 49.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.789 ' O ' HG13 ' A' ' 46' ' ' ILE . 3.4 t -132.92 30.27 4.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.829 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.91 132.02 1.3 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.839 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 54.2 mt -134.35 87.25 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.2 84.27 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.459 ' OG1' ' HB ' ' A' ' 51' ' ' VAL . 48.8 p -105.45 -140.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.626 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.676 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -100.49 -35.6 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.894 HD22 ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -118.01 -22.81 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.095 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.699 HG13 ' NE1' ' A' ' 27' ' ' TRP . 3.0 t -100.46 138.63 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.16 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -140.03 102.58 4.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.234 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.839 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 31.1 t30 -110.5 132.26 54.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.335 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.782 ' O ' ' HE2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -134.95 123.51 23.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.207 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.74 155.46 17.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.77 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -145.64 169.23 18.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.944 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.532 HG22 ' CE1' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -134.91 24.03 3.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.674 ' OG1' ' SG ' ' A' ' 61' ' ' CYS . 25.6 p -124.64 154.41 40.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.8 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.643 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 4.8 t-20 -34.03 132.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.786 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.585 ' CD2' ' O ' ' A' ' 3' ' ' CYS . 8.7 mt 21.57 45.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.674 ' SG ' ' OG1' ' A' ' 58' ' ' THR . 7.9 t -64.24 0.65 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.781 ' OD1' ' HB3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -121.91 81.54 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.791 ' HE2' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.81 0.338 . . . . 0.0 111.112 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.927 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.7 mp0 -107.26 159.74 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 33.4 m -125.38 -173.11 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.858 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -126.17 105.6 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.715 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -95.17 173.73 7.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 14.9 t -127.21 118.09 23.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -73.57 -176.85 33.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.652 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.459 ' O ' HG22 ' A' ' 8' ' ' VAL . 4.7 p -63.0 -12.85 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 111.224 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -148.22 -12.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.679 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -112.32 147.36 18.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -129.35 26.51 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.858 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 23.6 m80 -135.22 49.06 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.665 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.715 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.2 mp -99.71 132.14 45.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.184 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -99.8 115.95 30.74 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.046 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.692 ' CG1' ' N ' ' A' ' 16' ' ' THR . 0.7 OUTLIER -111.37 167.15 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.894 0.378 . . . . 0.0 111.0 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.927 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 1.3 m -118.45 116.28 26.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.635 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -80.87 147.32 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -81.18 167.43 19.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.003 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.39 -28.79 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' OE2' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -67.89 -48.17 66.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.635 ' HG3' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -105.92 123.35 47.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.657 ' O ' ' HE3' ' A' ' 1' ' ' MET . 0.6 OUTLIER -129.57 8.66 5.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 3.5 m-85 -104.48 153.19 21.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.791 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 17.6 m -120.1 102.51 8.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.662 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.656 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 17.3 p90 -102.1 132.33 48.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.889 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -128.31 101.72 6.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.509 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.939 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 46.2 t90 -101.88 144.36 30.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.714 HD12 ' H ' ' A' ' 29' ' ' ASN . 2.3 tp -134.52 135.36 42.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.939 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 38.1 t30 -113.46 119.32 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -83.83 3.85 31.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.744 HG13 HD22 ' A' ' 50' ' ' ASN . 20.7 mm -107.71 -59.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.505 ' HB3' HD22 ' A' ' 29' ' ' ASN . 36.1 t -95.6 2.28 54.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 29' ' ' ASN . 39.6 t30 56.21 18.55 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.668 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 3.5 mt-10 -81.75 136.24 35.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.51 120.48 35.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.045 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.777 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 7.7 m0 -99.92 77.58 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 4' ' ' TYR . 7.4 mp -100.74 137.67 38.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.73 -171.54 38.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.624 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 66.7 m -99.41 142.17 31.24 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.813 0.34 . . . . 0.0 110.782 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.693 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -139.78 161.56 37.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.493 ' H ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -83.68 -14.7 51.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.013 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -139.42 -154.67 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.981 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.421 ' N ' ' OG1' ' A' ' 42' ' ' THR . 32.3 t -129.49 138.47 51.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.824 ' O ' HG13 ' A' ' 46' ' ' ILE . 3.2 t -127.33 28.76 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.724 ' CA ' HD22 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -33.84 136.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.016 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.824 HG13 ' O ' ' A' ' 44' ' ' THR . 6.4 mt -140.29 84.87 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.202 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.62 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 1.1 p-10 -96.64 82.64 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.661 HG23 HG22 ' A' ' 46' ' ' ILE . 3.3 p -105.57 -142.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.667 ' CD2' ' OD1' ' A' ' 50' ' ' ASN . 3.9 p-90 -97.33 -31.75 12.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.042 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.744 HD22 HG13 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -120.51 -23.46 6.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.131 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.881 HG13 ' NE1' ' A' ' 27' ' ' TRP . 18.9 t -99.52 138.21 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.161 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -140.25 98.72 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.748 ' ND2' ' C ' ' A' ' 44' ' ' THR . 21.6 t30 -113.53 132.25 55.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.484 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.793 ' HE3' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -134.0 128.97 35.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.307 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.51 148.38 25.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.034 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -135.73 158.52 44.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.814 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.7 p -111.78 -3.46 14.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.058 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.789 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -103.44 146.2 28.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.882 ' ND2' HD12 ' A' ' 60' ' ' LEU . 7.0 t30 -43.94 156.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.772 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.882 HD12 ' ND2' ' A' ' 59' ' ' ASN . 1.1 mt 21.57 53.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.789 ' HB2' ' O ' ' A' ' 58' ' ' THR . 7.3 t -96.58 35.35 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.889 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -148.34 98.98 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.775 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.839 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 1.4 mt-10 -118.97 143.58 46.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.854 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.9 m -109.17 -179.28 3.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.668 ' HB3' ' O ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -124.16 106.01 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.792 ' HG2' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -98.93 161.56 13.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 6.4 t -107.99 120.34 42.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.921 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -88.25 177.36 45.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.543 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.666 HG13 ' H ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -48.29 -62.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 111.123 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.666 ' H ' HG13 ' A' ' 8' ' ' VAL . 43.9 t -110.19 25.42 11.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.581 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -149.27 155.39 26.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -138.63 20.34 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 110.823 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.416 ' HD2' ' HE2' ' A' ' 4' ' ' TYR . 49.3 m80 -129.73 50.6 2.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 13' ' ' LEU . 3.0 mp -99.41 127.11 45.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.808 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.659 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.62 116.23 31.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 -179.67 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.792 ' CG2' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -112.21 139.82 34.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.799 179.786 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.839 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 99.3 m -92.69 105.66 17.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.694 ' SG ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -69.25 131.14 44.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.93 163.72 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.39 -22.25 4.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.79 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.573 ' OE2' ' CD ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -69.77 -52.58 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.629 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 3.6 pt-20 -106.76 121.63 44.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.824 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.715 ' O ' ' HE3' ' A' ' 1' ' ' MET . 10.1 p -129.97 24.23 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.747 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 13.7 m-85 -108.9 152.12 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.958 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.75 97.71 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.54 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -100.81 123.91 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.495 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.936 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -119.47 101.73 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.085 179.367 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.916 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 55.2 t90 -99.55 144.94 28.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.093 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.113 HD13 ' CG ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -132.72 130.01 39.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.942 ' N ' HD12 ' A' ' 28' ' ' LEU . 23.9 t-20 -109.48 99.87 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -70.48 29.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.552 ' H ' ' C ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -119.38 -69.69 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.878 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 5.3 t -90.01 -16.77 29.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.878 ' HB3' ' O ' ' A' ' 32' ' ' SER . 6.2 t30 88.29 23.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.963 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.896 ' HG3' ' HZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -103.7 138.62 40.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 1.113 ' CG ' HD13 ' A' ' 28' ' ' LEU . 1.9 mtt180 -127.72 141.59 51.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.095 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.778 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 9.5 m0 -99.93 81.7 2.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.717 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.834 ' HG ' HD21 ' A' ' 62' ' ' ASN . 9.0 mp -99.9 122.59 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.54 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 174.8 -167.36 39.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.549 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.854 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 67.1 m -99.48 142.0 31.52 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.795 0.331 . . . . 0.0 110.819 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.747 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.04 162.09 36.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.573 ' CD ' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -77.64 -37.44 50.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.685 179.792 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -126.27 -175.15 3.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.601 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 27.0 t -100.35 143.7 30.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.73 ' O ' HG23 ' A' ' 44' ' ' THR . 1.4 t -131.55 37.78 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.645 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.794 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -44.93 132.74 6.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.931 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 67.5 mt -138.64 75.55 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.8 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.15 86.32 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.206 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 22.0 p -105.45 -127.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.787 ' CE3' ' ND2' ' A' ' 50' ' ' ASN . 2.3 p-90 -106.59 -44.82 4.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.574 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.828 HD22 ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -108.18 -21.91 12.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.829 HG13 ' HE1' ' A' ' 27' ' ' TRP . 64.9 t -100.02 141.06 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.389 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.439 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t80 -140.31 101.77 4.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.931 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 6.3 t30 -112.96 123.1 49.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.389 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HD2' ' HE2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -129.23 124.06 33.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 111.472 -179.516 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.81 152.45 20.11 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.7 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.1 149.02 45.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.49 21.11 17.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.541 ' O ' ' HG3' ' A' ' 1' ' ' MET . 58.3 p -114.08 -153.11 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.734 ' O ' ' N ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -100.07 158.5 15.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.592 ' C ' ' O ' ' A' ' 59' ' ' ASN . 12.3 mt 18.0 43.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.734 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -79.52 24.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.774 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.936 ' HA ' ' HD2' ' A' ' 26' ' ' LYS . 62.0 t-20 -137.43 49.72 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.91 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.859 ' HE1' ' SG ' ' A' ' 24' ' ' CYS . 14.7 tmm? . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.832 0.348 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.759 ' O ' ' SD ' ' A' ' 1' ' ' MET . 3.4 mp0 -109.78 132.75 53.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.5 m -105.33 -179.2 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.956 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.843 ' CE1' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -129.27 109.28 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.755 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.839 ' HE ' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -112.84 163.57 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 -179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 5.0 t -101.99 121.74 42.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.637 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.739 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -79.02 -159.12 14.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.666 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 9' ' ' SER . 3.8 p -62.74 -53.47 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.214 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.557 ' N ' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -120.63 -4.13 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -113.22 152.72 17.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -126.89 13.59 7.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.896 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -121.24 51.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.042 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.739 ' CD1' ' H ' ' A' ' 7' ' ' GLY . 4.6 mp -99.44 124.24 44.41 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.738 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.61 109.74 22.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.937 HG13 ' N ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -100.15 158.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.937 ' N ' HG13 ' A' ' 15' ' ' ILE . 16.0 m -111.62 122.08 46.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.836 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -88.98 155.75 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.612 ' HB2' ' HG3' ' A' ' 20' ' ' GLU . 2.5 m -101.9 157.77 16.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -27.39 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.612 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.0 OUTLIER -62.75 -53.18 58.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.836 ' O ' ' HB2' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -104.29 121.3 43.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.449 ' O ' ' HE2' ' A' ' 1' ' ' MET . 13.6 t -135.04 0.68 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 2.7 m-30 -101.11 156.45 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.859 ' SG ' ' HE1' ' A' ' 1' ' ' MET . 17.9 m -116.08 103.01 10.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.707 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.787 ' CE2' ' HB3' ' A' ' 36' ' ' TRP . 1.2 p90 -99.87 125.06 45.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.025 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.631 ' HD2' ' HB2' ' A' ' 62' ' ' ASN . 3.8 ptmt -124.52 97.67 5.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.938 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 21.4 t90 -104.82 147.19 27.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.721 HD13 ' CZ ' ' A' ' 35' ' ' ARG . 26.2 tp -135.72 138.54 42.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.066 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.938 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 9.2 t-20 -115.91 109.39 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -80.96 23.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -128.95 -36.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.293 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.798 ' HB3' ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -116.6 -7.23 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.1 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 72.3 10.99 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.817 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.876 ' HB3' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.05 149.26 43.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.663 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.721 ' CZ ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -139.76 116.98 11.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.866 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.853 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 8.4 m0 -99.6 72.02 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.755 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.635 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 7.4 mp -106.21 129.43 54.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.811 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.09 -158.68 31.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 74.4 m -99.67 138.24 37.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.953 0.406 . . . . 0.0 111.005 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.65 156.38 46.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.035 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.636 ' HE2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -81.31 -35.52 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -174.49 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.743 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 t -111.72 138.47 48.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.779 HG23 ' ND2' ' A' ' 53' ' ' ASN . 5.7 t -129.7 31.98 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.831 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -38.11 128.13 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.701 ' H ' ' HB3' ' A' ' 53' ' ' ASN . 7.1 mt -132.66 86.62 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -100.69 84.01 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.392 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.0 p -100.07 -132.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.647 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -109.16 -30.05 8.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 0.0 110.756 179.656 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.785 HD22 ' H ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -116.22 -27.26 6.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.029 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.809 HG13 ' CD1' ' A' ' 27' ' ' TRP . 2.2 t -103.57 140.06 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.447 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.53 ' OH ' ' HE2' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -140.16 105.35 5.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.237 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.831 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 41.5 t30 -117.88 125.89 51.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.479 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.628 ' HD2' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -126.28 130.05 50.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.403 -179.493 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.74 143.64 29.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.661 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.21 171.19 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.459 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -136.05 22.72 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 1.017 HG23 ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -126.61 164.37 21.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.916 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.787 HD21 HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -52.56 148.19 7.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.843 HD22 ' CE1' ' A' ' 4' ' ' TYR . 3.9 mt 18.3 47.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.721 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 1.017 ' SG ' HG23 ' A' ' 58' ' ' THR . 2.9 t -65.52 -22.36 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.202 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.742 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 20.0 p-10 -124.8 133.87 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.915 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.913 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.859 0.361 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.708 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -101.51 152.38 20.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.049 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.495 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 17.7 m -114.42 -172.31 2.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.767 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.902 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -127.05 101.44 6.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.867 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -95.89 168.22 10.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.787 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 10' ' ' GLY . 3.9 t -114.14 123.22 49.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.14 -129.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.27 -17.47 6.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 111.184 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -131.52 -0.28 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -147.09 170.88 27.91 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.491 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.507 ' O ' ' OXT' ' A' ' 63' ' ' THR . 0.0 OUTLIER -136.86 36.08 2.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.73 0.3 . . . . 0.0 110.877 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.635 ' C ' ' HE1' ' A' ' 4' ' ' TYR . 2.4 m170 -133.72 52.71 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.759 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.753 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -99.42 127.64 45.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.643 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.725 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -100.41 112.17 24.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.907 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.867 ' CG2' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -112.24 163.16 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.276 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.801 ' O ' HD11 ' A' ' 15' ' ' ILE . 1.5 m -101.82 132.35 47.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.621 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 1.8 m -107.35 110.36 22.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.989 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.8 t -56.35 167.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.13 -22.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -49.46 45.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.815 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -107.15 115.99 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.536 ' O ' ' CE ' ' A' ' 1' ' ' MET . 0.4 OUTLIER -125.16 -4.76 7.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.802 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.696 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.9 m-85 -101.86 148.34 25.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.407 ' SG ' ' HE2' ' A' ' 1' ' ' MET . 89.8 m -112.93 101.55 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 8.0 p90 -100.48 116.92 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.759 ' HG2' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -115.9 102.29 9.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.936 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 28.0 t90 -100.28 137.14 39.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tp -125.12 131.71 53.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 111.073 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.936 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 3.1 t-20 -112.08 115.61 29.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.984 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 1.76 29.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -103.52 -46.32 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.22 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -110.28 6.66 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.631 HD21 HH12 ' A' ' 35' ' ' ARG . 35.5 t30 51.77 19.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.584 ' C ' ' HD3' ' A' ' 35' ' ' ARG . 3.5 tt0 -90.4 136.21 33.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.725 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.858 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -124.95 127.54 47.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 -179.7 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.727 ' CE3' ' CD2' ' A' ' 27' ' ' TRP . 12.8 m0 -101.6 85.11 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.655 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.902 HD23 ' O ' ' A' ' 4' ' ' TYR . 7.4 mp -105.72 114.78 29.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.991 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . -164.35 -178.1 37.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.366 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.815 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 4.0 m -99.32 130.28 45.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.884 0.373 . . . . 0.0 110.972 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.67 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -132.59 168.01 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.873 ' HZ2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -79.78 -40.15 29.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.757 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.471 ' HB ' ' H ' ' A' ' 43' ' ' CYS . 2.1 p -111.75 -154.81 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.839 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 4.4 t -117.96 145.27 44.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.875 HG23 ' ND2' ' A' ' 53' ' ' ASN . 6.8 t -125.77 30.01 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.77 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -46.57 130.64 11.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.702 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 9.2 mt -136.89 84.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.99 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -94.87 91.82 6.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.461 ' OG1' ' HB ' ' A' ' 51' ' ' VAL . 49.2 p -112.37 -133.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.495 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.667 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -104.82 -40.35 5.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.734 179.685 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.784 HD22 ' N ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -112.87 -22.14 10.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.931 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.809 HG13 ' CD1' ' A' ' 27' ' ' TRP . 13.6 t -100.68 136.33 32.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.578 ' HE2' ' HE2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -139.97 99.14 3.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.875 ' ND2' HG23 ' A' ' 44' ' ' THR . 17.0 t30 -110.6 129.71 55.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HD2' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -126.91 126.59 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.526 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.6 m -99.92 143.68 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.112 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.32 172.74 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.571 HG22 ' CE2' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -140.03 14.94 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.129 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.643 ' O ' ' SD ' ' A' ' 1' ' ' MET . 41.0 p -108.02 -151.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.913 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 27.0 t30 -99.01 147.61 24.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.997 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 59' ' ' ASN . 1.2 mt 17.35 46.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.696 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.6 OUTLIER -78.55 4.17 14.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.678 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.759 ' OD1' ' HG2' ' A' ' 26' ' ' LYS . 1.2 m-20 -99.9 -157.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.999 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.669 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.666 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.675 ' HG3' ' HA ' ' A' ' 16' ' ' THR . 18.9 mp0 -121.15 164.91 16.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.692 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.8 m -135.32 -169.56 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.907 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -131.27 109.84 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 1.01 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.75 167.79 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 2.9 t -114.74 135.36 54.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.64 -170.1 16.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.54 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 8' ' ' VAL . 0.2 OUTLIER -54.06 -72.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 0.0 111.103 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' A' ' 9' ' ' SER . 2.8 t -111.15 16.34 21.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.593 ' O ' HD11 ' A' ' 13' ' ' LEU . . . -140.95 109.92 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.441 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 1.8 t -104.36 25.1 10.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.907 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 9.2 m80 -121.6 50.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.01 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.1 mp -99.85 138.84 36.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.629 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -102.67 115.95 31.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.603 HG13 ' N ' ' A' ' 16' ' ' THR . 0.1 OUTLIER -101.57 157.58 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.02 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.675 ' HA ' ' HG3' ' A' ' 2' ' ' GLU . 62.1 m -112.44 107.55 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.64 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -108.75 119.76 40.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.021 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.735 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -165.0 118.69 1.26 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.795 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 94.93 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.553 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -100.94 -64.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.453 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.931 ' HB2' ' HB2' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -107.44 139.0 42.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 179.51 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.77 -6.58 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.094 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.881 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.0 m-30 -104.76 152.49 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.29 95.49 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.414 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.698 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -99.52 135.1 41.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 0.0 111.27 -179.457 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.841 ' HD2' ' CB ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -131.24 98.69 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.575 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.924 ' HB3' ' HB2' ' A' ' 36' ' ' TRP . 41.9 t90 -99.78 145.23 27.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.125 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.028 HD12 ' HG2' ' A' ' 35' ' ' ARG . 17.3 tp -131.96 128.26 38.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.068 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.915 HD21 ' HB ' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -106.28 108.4 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.687 179.829 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 50' ' ' ASN . 7.2 mtpt -74.82 15.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.2 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.915 ' HB ' HD21 ' A' ' 29' ' ' ASN . 41.0 mm -119.51 -51.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.695 ' H ' ' ND2' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -108.46 8.44 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.733 179.775 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.586 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 2.1 t30 55.38 11.88 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.786 ' HB3' ' CZ3' ' A' ' 27' ' ' TRP . 2.3 tt0 -70.41 126.1 28.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 1.028 ' HG2' HD12 ' A' ' 28' ' ' LEU . 51.4 mtt180 -119.13 126.35 51.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.28 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.924 ' HB2' ' HB3' ' A' ' 27' ' ' TRP . 6.1 m0 -99.93 80.87 2.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.949 HD23 HD21 ' A' ' 62' ' ' ASN . 4.1 mp -103.53 125.01 49.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.005 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.698 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 166.97 -175.28 42.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.496 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.931 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.29 124.61 44.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.807 0.337 . . . . 0.0 110.988 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -119.36 172.75 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.553 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -68.77 -58.26 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.73 -157.23 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.766 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.5 t -108.07 148.29 30.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.772 ' O ' HG23 ' A' ' 44' ' ' THR . 1.3 t -139.04 39.84 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.824 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -46.65 136.27 7.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.717 HG21 HG11 ' A' ' 51' ' ' VAL . 20.6 mt -139.04 90.57 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.19 80.8 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.555 HG23 HG22 ' A' ' 46' ' ' ILE . 16.1 p -101.31 -136.17 0.32 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.479 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.61 ' CE3' ' HB3' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -97.6 -46.15 6.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.895 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.782 ' OD1' HG12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -113.42 -18.42 12.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.365 -179.555 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.878 HG13 ' NE1' ' A' ' 27' ' ' TRP . 4.4 t -100.21 127.66 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.763 0.316 . . . . 0.0 111.165 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.49 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 4.5 t80 -132.44 103.81 6.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.824 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 37.2 t30 -111.65 128.9 56.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.27 126.37 38.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.27 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.66 150.57 22.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.25 172.74 12.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -140.0 24.23 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -126.59 158.1 37.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.593 ' O ' ' C ' ' A' ' 60' ' ' LEU . 47.9 t30 -41.93 142.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.593 ' C ' ' O ' ' A' ' 59' ' ' ASN . 38.3 mt 19.57 61.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.939 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 58' ' ' THR . 1.9 t -85.78 8.2 20.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.884 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.949 HD21 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -133.31 106.37 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.966 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.754 ' SD ' ' O ' ' A' ' 58' ' ' THR . 33.2 ttp . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.7 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 2.2 tt0 -124.01 128.3 49.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 72.2 m -103.62 -177.88 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.868 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -123.84 105.9 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.141 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.858 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 2.7 ptt180 -98.19 163.25 12.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.679 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.575 ' SG ' ' NH1' ' A' ' 35' ' ' ARG . 5.4 t -107.4 115.48 30.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.904 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.758 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -68.21 -154.79 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.508 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.47 -29.21 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.332 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 t -128.36 7.78 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.42 165.12 27.56 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.579 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -134.75 25.53 3.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.743 0.306 . . . . 0.0 110.79 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.868 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 40.4 m80 -130.47 50.26 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.168 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.758 ' CD1' ' H ' ' A' ' 7' ' ' GLY . 1.8 mp -99.71 127.89 45.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HG3' ' HG2' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -99.59 118.26 35.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.778 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.858 ' HB ' ' NE ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -120.81 148.42 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.249 -179.787 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.453 ' N ' HG12 ' A' ' 15' ' ' ILE . 17.7 m -95.76 132.14 41.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.6 m -82.11 156.15 24.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.3 m -86.62 169.74 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.52 -17.48 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -38.75 16.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.463 ' H ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -107.65 126.08 52.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.597 ' O ' ' HE2' ' A' ' 1' ' ' MET . 81.3 p -134.44 8.1 3.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.451 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.521 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 6.9 m-85 -106.6 154.23 21.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.026 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.613 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 48.5 m -117.31 101.32 8.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.304 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.613 ' HD1' ' O ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -103.45 133.38 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.426 . . . . 0.0 111.609 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -127.12 100.73 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.144 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.884 ' CH2' ' HB2' ' A' ' 29' ' ' ASN . 60.1 t90 -99.79 142.76 30.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.266 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.009 HD12 ' N ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -135.53 129.98 33.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.773 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 1.009 ' N ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -108.93 119.47 39.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.018 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -76.73 -10.36 59.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.848 HD12 ' N ' ' A' ' 31' ' ' ILE . 1.1 mp -100.54 -50.02 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.981 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.733 ' O ' ' N ' ' A' ' 34' ' ' GLU . 40.5 t -98.08 11.85 36.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.694 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.479 ' HA ' ' O ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER 37.51 15.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.052 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.733 ' N ' ' O ' ' A' ' 32' ' ' SER . 1.5 tp10 -85.99 136.41 33.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.575 ' NH1' ' SG ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -122.25 126.18 47.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.191 -179.788 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.722 ' CE3' ' CD2' ' A' ' 27' ' ' TRP . 13.8 m0 -99.84 84.17 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.671 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 11.2 mp -101.46 125.63 48.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.613 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . 172.66 -168.41 41.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.623 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 77.4 m -99.46 142.71 30.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.819 0.343 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -140.26 161.06 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.865 ' HE3' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -79.45 -27.07 41.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.585 HG23 ' NZ ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -134.5 -176.3 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.57 179.811 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.482 ' N ' ' OG1' ' A' ' 42' ' ' THR . 26.7 t -102.49 149.69 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.973 0.416 . . . . 0.0 111.139 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.813 ' O ' HG13 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -134.75 37.2 3.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.617 179.78 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -43.07 130.68 4.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.071 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.956 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 14.2 mt -140.25 76.91 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.069 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 7.7 p-10 -93.83 90.02 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.1 p -108.51 -134.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.678 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -103.41 -31.27 10.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.841 ' H ' ' ND2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -120.57 -26.88 5.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.248 -179.647 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.635 ' H ' HD22 ' A' ' 50' ' ' ASN . 3.4 t -99.63 143.93 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.362 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -140.3 106.39 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.264 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.956 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 6.3 t30 -113.02 122.41 47.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.243 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.654 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -130.21 124.26 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.995 0.426 . . . . 0.0 111.824 -179.301 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.654 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -105.61 151.34 24.48 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.624 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.94 146.18 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 111.142 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -101.09 9.25 42.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.754 ' O ' ' SD ' ' A' ' 1' ' ' MET . 1.5 p -107.68 -179.26 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.812 ' OD1' HD12 ' A' ' 60' ' ' LEU . 20.7 t-20 -70.87 151.22 44.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.812 HD12 ' OD1' ' A' ' 59' ' ' ASN . 0.7 OUTLIER 12.51 50.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.314 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.734 ' N ' ' O ' ' A' ' 59' ' ' ASN . 39.0 t -73.1 7.78 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 0.0 110.646 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.487 ' OD1' ' C ' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -125.13 119.61 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.81 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.774 ' HE2' ' C ' ' A' ' 22' ' ' THR . 1.3 ttp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -122.81 144.39 49.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.552 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 1.8 m -113.89 -175.57 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.723 ' OH ' ' ND1' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -126.63 106.9 9.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.779 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.94 154.68 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.52 114.59 28.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.595 ' H ' ' CD1' ' A' ' 13' ' ' LEU . . . -68.91 -133.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.583 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.85 -36.11 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.845 0.355 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -126.54 2.87 6.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.79 144.59 16.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.602 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.2 38.32 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.776 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.723 ' ND1' ' OH ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -139.54 49.3 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.765 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.779 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 4.6 mp -99.56 131.88 45.27 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.65 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.79 117.1 33.39 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.732 ' CG2' ' HD3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -114.3 154.58 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.644 ' N ' HG12 ' A' ' 15' ' ' ILE . 30.0 m -102.06 114.77 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.557 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 1.9 m -89.39 120.79 31.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -175.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.38 -10.33 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.088 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -49.35 15.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -105.09 128.28 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.774 ' C ' ' HE2' ' A' ' 1' ' ' MET . 0.1 OUTLIER -131.9 -7.91 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.153 -179.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.695 ' CE1' HG22 ' A' ' 57' ' ' THR . 3.6 m-30 -100.39 147.04 26.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.962 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.647 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . 6.3 m -113.21 103.98 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.764 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.7 OUTLIER -100.42 125.26 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 1.006 ' HB2' ' HB2' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -123.55 101.65 7.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.914 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 63.2 t90 -100.0 139.4 35.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.01 HD13 ' HD2' ' A' ' 35' ' ' ARG . 2.0 tp -130.36 127.62 39.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.883 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.914 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 8.4 t-20 -105.22 115.66 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.3 mtpt -87.77 19.91 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.523 ' HB ' HD21 ' A' ' 29' ' ' ASN . 17.4 mm -113.1 -44.32 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.223 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.611 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 11.0 t -117.52 -21.44 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.611 ' CB ' ' O ' ' A' ' 32' ' ' SER . 0.4 OUTLIER 93.07 18.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.674 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -88.14 131.3 34.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.827 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 1.01 ' HD2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -122.66 134.53 54.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.99 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.764 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 10.6 m0 -108.14 84.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.681 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.88 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 11.0 mp -103.81 130.99 51.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.003 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.48 -173.81 46.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 1.7 m -99.35 135.14 41.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 111.055 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.667 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -136.37 171.25 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.022 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.465 ' H ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -86.95 -41.48 13.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -113.64 -158.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.5 ' N ' ' OG1' ' A' ' 42' ' ' THR . 31.8 t -118.84 151.04 38.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.78 ' O ' HG13 ' A' ' 46' ' ' ILE . 2.8 t -135.37 24.86 3.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.686 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.777 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -34.83 132.42 0.33 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.78 HG13 ' O ' ' A' ' 44' ' ' THR . 5.8 mt -138.9 74.63 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.428 ' OD2' ' OE2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -92.92 104.68 16.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.328 -179.697 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 p -126.23 -127.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.318 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.791 ' CE3' ' ND2' ' A' ' 50' ' ' ASN . 0.4 OUTLIER -111.52 -26.41 9.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.705 179.78 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.849 HD22 ' N ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -124.25 -30.64 3.41 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.844 HG13 ' HE1' ' A' ' 27' ' ' TRP . 34.1 t -102.79 123.33 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.156 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.571 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -127.27 104.25 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.225 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.778 ' OD1' ' HB2' ' A' ' 27' ' ' TRP . 19.2 t30 -112.44 132.92 54.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.241 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.776 ' HD2' ' O ' ' A' ' 55' ' ' CYS . 0.5 OUTLIER -134.13 125.08 27.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.39 . . . . 0.0 111.783 -179.349 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.776 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.5 m -100.48 149.95 23.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.44 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.02 170.48 15.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.882 0.372 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.695 HG22 ' CE1' ' A' ' 23' ' ' PHE . 1.5 p -138.16 21.98 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.831 HG23 ' H ' ' A' ' 59' ' ' ASN . 13.5 t -110.18 -127.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.831 ' H ' HG23 ' A' ' 58' ' ' THR . 6.5 t-20 -118.96 136.32 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.708 ' O ' HG22 ' A' ' 63' ' ' THR . 57.9 mt 20.24 41.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.034 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.737 ' N ' ' O ' ' A' ' 59' ' ' ASN . 0.4 OUTLIER -64.84 -30.81 71.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.73 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 1.006 ' HB2' ' HB2' ' A' ' 26' ' ' LYS . 21.7 p-10 -97.32 76.99 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.798 ' HG2' HD22 ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.741 0.305 . . . . 0.0 111.187 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 1.002 ' HG3' HD21 ' A' ' 59' ' ' ASN . 0.0 OUTLIER -100.1 141.18 33.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.0 m -114.27 -179.01 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.783 ' HB2' ' O ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -114.56 101.97 9.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.619 179.825 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.923 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -101.49 -169.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 -179.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.676 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 2.4 t -123.28 119.64 30.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.07 -145.35 1.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.748 HG13 ' N ' ' A' ' 9' ' ' SER . 9.1 p -73.73 -57.37 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.748 ' N ' HG13 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -118.38 5.59 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -120.15 169.14 13.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.409 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.676 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -139.54 4.71 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 111.223 -179.824 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.451 ' C ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -111.81 48.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.998 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.923 ' HB2' ' HD3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -99.49 129.73 45.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.831 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.828 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -99.57 106.81 18.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.014 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.573 HG12 ' N ' ' A' ' 16' ' ' THR . 2.6 tt -101.87 161.34 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.573 ' N ' HG12 ' A' ' 15' ' ' ILE . 1.8 m -111.96 117.79 33.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.544 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -118.58 137.76 53.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.735 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -166.98 137.9 3.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.126 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 95.26 -41.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.043 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.758 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -110.39 -59.7 1.91 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.838 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.36 141.42 35.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.798 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.07 -12.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 7.8 m-85 -105.18 143.79 32.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.0 m -106.76 97.42 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.712 ' OH ' ' HB3' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -99.66 133.93 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.317 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.894 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 1.2 ptmt -132.15 104.6 6.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.726 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.978 ' NE1' HG13 ' A' ' 51' ' ' VAL . 16.6 t90 -99.68 140.96 33.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.757 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.511 HD12 ' H ' ' A' ' 29' ' ' ASN . 19.9 tp -128.54 134.72 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.366 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.932 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 2.1 t-20 -112.84 116.8 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.831 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' HB3' ' HE2' ' A' ' 30' ' ' LYS . 14.6 mtpt -86.43 13.79 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.062 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.523 ' HB ' HD21 ' A' ' 29' ' ' ASN . 4.0 mm -117.61 -34.88 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.473 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.607 ' HB2' ' OD1' ' A' ' 29' ' ' ASN . 0.6 OUTLIER -122.54 -3.67 8.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.8 t30 67.22 16.68 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.758 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.734 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 0.1 OUTLIER -81.69 129.8 34.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.517 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 13.9 mtm180 -122.84 120.37 33.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.773 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 11.6 m0 -99.82 83.79 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.853 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 10.9 mp -104.83 135.66 45.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.29 -175.13 44.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.429 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.838 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 1.6 m -99.38 124.53 44.58 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.977 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.86 170.75 9.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.758 ' HD2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -85.44 -31.67 22.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.736 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.13 -163.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.694 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.1 t -122.37 136.76 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.781 ' O ' HG23 ' A' ' 44' ' ' THR . 0.9 OUTLIER -126.98 37.77 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.883 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -37.03 136.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.916 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 4.8 mt -136.11 78.33 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.058 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.55 79.89 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.024 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.498 ' OG1' ' HB ' ' A' ' 51' ' ' VAL . 9.0 p -105.85 -134.69 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.697 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.785 ' CH2' ' ND2' ' A' ' 50' ' ' ASN . 1.0 OUTLIER -101.96 -42.29 6.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.711 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.785 ' ND2' ' CH2' ' A' ' 49' ' ' TRP . 2.6 p30 -109.62 -24.22 11.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.978 HG13 ' NE1' ' A' ' 27' ' ' TRP . 99.0 t -99.66 138.35 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.051 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' O ' ' CG ' ' A' ' 52' ' ' TYR . 4.5 t80 -139.47 94.17 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.916 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 34.9 t30 -103.95 125.96 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.618 ' HD3' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -131.92 122.35 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.281 -179.615 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.618 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 1.8 m -99.86 147.2 25.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.807 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -133.95 156.01 48.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.0 p -121.48 12.78 10.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.586 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -120.99 145.22 47.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 1.002 HD21 ' HG3' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -37.7 149.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.696 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.795 HD11 ' HE2' ' A' ' 14' ' ' LYS . 61.0 mt 18.19 56.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.763 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.586 ' HB2' ' O ' ' A' ' 58' ' ' THR . 43.6 t -92.3 -22.4 19.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.903 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.894 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 1.8 p-10 -102.92 117.25 34.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.718 HG23 ' OXT' ' A' ' 63' ' ' THR . 13.9 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.758 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.862 0.363 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.659 ' CD ' ' HB2' ' A' ' 14' ' ' LYS . 32.9 tt0 -107.68 140.45 40.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.771 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 m -116.59 170.09 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.976 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -110.17 99.02 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.931 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -101.43 -161.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.616 ' C ' HD13 ' A' ' 13' ' ' LEU . 1.8 t -126.67 159.4 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.486 ' N ' HD13 ' A' ' 13' ' ' LEU . . . -113.77 -106.56 2.73 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.441 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -130.06 -35.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -122.6 -13.63 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.77 148.8 18.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.332 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.557 ' O ' ' HD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -117.45 41.29 2.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.372 . . . . 0.0 110.94 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.557 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 20.3 m170 -139.23 52.17 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.616 HD13 ' C ' ' A' ' 6' ' ' CYS . 4.6 mp -99.41 127.24 45.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HB2' ' CD ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -98.91 102.21 13.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.058 -179.5 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.585 HG22 ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -110.89 121.08 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 2' ' ' GLU . 3.4 m -89.82 125.58 35.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.758 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -47.65 169.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.518 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -92.83 39.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 72.34 -25.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.202 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -66.79 -48.43 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.61 ' HB3' ' C ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -102.01 155.01 18.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.71 ' C ' ' HE2' ' A' ' 1' ' ' MET . 65.8 p -138.63 3.56 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.563 ' CD2' ' O ' ' A' ' 56' ' ' CYS . 9.0 m-85 -99.81 150.38 22.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.601 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 17.2 m -113.49 102.78 10.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.454 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.659 ' HE2' ' HB3' ' A' ' 36' ' ' TRP . 5.8 p90 -99.87 128.54 45.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.213 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 1.013 ' HD2' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -126.18 99.16 5.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.418 179.698 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.965 ' HE1' HG13 ' A' ' 51' ' ' VAL . 45.8 t90 -103.56 147.43 27.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.034 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' ' 35' ' ' ARG . 19.8 tp -139.82 133.5 30.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.936 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 6.5 t-20 -112.23 105.4 13.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 2.67 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mm -100.03 -55.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.569 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 8.5 t -91.2 -26.46 19.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.722 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 32' ' ' SER . 7.9 t30 88.82 10.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.699 ' OE1' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -96.17 143.93 26.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.795 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.699 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -127.74 142.86 51.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.987 0.422 . . . . 0.0 111.106 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.68 ' CE3' ' CD2' ' A' ' 27' ' ' TRP . 9.4 m0 -106.3 84.82 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.62 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.976 HD23 ' O ' ' A' ' 4' ' ' TYR . 11.1 mp -104.66 127.54 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.056 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' C ' ' CE1' ' A' ' 25' ' ' TYR . . . 169.98 -161.68 34.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 19.9 m -99.68 147.31 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.61 ' C ' ' HB3' ' A' ' 21' ' ' GLU . . . -140.98 160.56 39.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.22 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.883 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -89.17 -25.22 21.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.485 ' HB ' ' H ' ' A' ' 43' ' ' CYS . 0.6 OUTLIER -128.77 -154.28 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.559 179.749 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.485 ' H ' ' HB ' ' A' ' 42' ' ' THR . 28.0 t -122.04 138.09 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.059 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.701 HG23 ' ND2' ' A' ' 53' ' ' ASN . 6.5 t -124.91 30.61 5.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.637 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.889 ' HA ' HD22 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -45.63 128.89 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.896 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.639 HG21 HG11 ' A' ' 51' ' ' VAL . 4.7 mt -138.62 82.75 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.992 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -95.32 92.99 7.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.4 p -118.18 -131.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.476 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.679 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -107.76 -36.18 6.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.941 179.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.828 ' H ' ' ND2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -115.56 -23.44 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.184 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.965 HG13 ' HE1' ' A' ' 27' ' ' TRP . 51.4 t -104.33 126.56 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.364 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -130.95 101.71 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.002 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.889 HD22 ' HA ' ' A' ' 45' ' ' GLU . 5.5 t30 -117.08 127.66 54.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.508 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 1.013 ' HD3' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -125.85 128.3 47.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 111.365 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.5 m -99.84 141.81 32.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.666 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.563 ' O ' ' CD2' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -131.88 175.23 9.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.958 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.486 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.5 OUTLIER -139.99 16.2 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.299 -179.624 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.62 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 81.4 p -126.27 151.92 46.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.922 0.391 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.726 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 0.1 OUTLIER -40.83 149.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.608 ' C ' ' O ' ' A' ' 59' ' ' ASN . 60.7 mt 17.52 59.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 58' ' ' THR . 9.1 t -81.99 -1.42 48.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.797 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -129.51 128.3 42.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.774 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.643 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 2.2 ttt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.886 0.374 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.863 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -103.92 154.9 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 1.8 m -112.86 -172.61 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.594 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.827 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -138.12 115.56 11.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.47 179.748 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.982 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -111.09 171.66 7.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 -179.664 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 1.8 t -112.37 130.8 55.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -89.47 -172.07 45.45 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.403 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.76 HG13 ' N ' ' A' ' 9' ' ' SER . 13.1 p -45.78 -60.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.76 ' N ' HG13 ' A' ' 8' ' ' VAL . 2.1 t -125.32 26.35 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.795 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -138.73 157.99 24.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -137.5 24.97 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.874 -179.856 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -120.79 46.26 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.602 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 1.8 mp -99.67 119.64 38.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.692 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HA ' ' HD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -98.64 111.33 23.73 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 -179.39 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.868 ' CG2' ' HD2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -104.43 169.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.601 ' N ' ' CG1' ' A' ' 15' ' ' ILE . 3.2 m -125.46 116.33 21.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -79.28 175.31 10.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.628 ' O ' ' N ' ' A' ' 20' ' ' GLU . 56.0 m -126.71 161.51 27.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -31.27 -30.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.633 ' OE1' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -65.52 -50.9 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.702 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -109.65 133.93 52.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.553 ' O ' ' CE ' ' A' ' 1' ' ' MET . 17.1 p -135.95 -2.99 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.73 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.749 ' HE1' HG22 ' A' ' 57' ' ' THR . 1.2 m-85 -100.48 148.05 25.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.982 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.643 ' SG ' ' HE3' ' A' ' 1' ' ' MET . 5.7 m -118.0 97.07 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.366 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.596 ' H ' ' HD1' ' A' ' 25' ' ' TYR . 0.7 OUTLIER -99.76 133.39 44.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.065 0.459 . . . . 0.0 111.382 -179.51 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.897 ' HG2' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -125.83 103.7 7.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.47 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 1.015 ' NE1' HG13 ' A' ' 51' ' ' VAL . 12.2 t90 -106.49 146.93 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.601 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 18.6 tp -138.07 135.59 35.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.965 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 48.2 t-20 -114.5 97.37 6.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.035 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.559 ' HZ3' ' HB2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -61.61 11.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.845 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.612 ' H ' ' C ' ' A' ' 29' ' ' ASN . 13.8 mm -116.02 -53.83 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.524 ' H ' ' CG ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -95.65 5.61 51.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t30 52.88 9.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 28.9 tt0 -86.1 138.23 32.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.601 ' HG2' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.08 129.01 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.813 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 13.2 m0 -99.99 83.42 2.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.982 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 5.7 mp -105.62 117.28 33.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.492 ' O ' ' HD1' ' A' ' 25' ' ' TYR . . . -179.37 -171.86 42.91 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.596 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.9 m -99.5 140.66 33.36 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.0 111.017 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 23' ' ' PHE . . . -138.34 165.03 27.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.633 ' HD2' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -75.14 -24.55 57.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.51 ' CA ' ' HD2' ' A' ' 23' ' ' PHE . 10.7 p -136.9 -155.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 45' ' ' GLU . 7.6 t -111.74 149.85 31.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.824 ' O ' HG13 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -130.42 26.25 5.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.744 ' CA ' HD22 ' A' ' 53' ' ' ASN . 0.3 OUTLIER -41.4 132.35 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.824 HG13 ' O ' ' A' ' 44' ' ' THR . 15.9 mt -140.16 98.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.251 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.01 103.65 15.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.652 ' OG1' ' N ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -129.51 -149.6 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.397 179.758 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.678 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 1.5 p-90 -96.73 -26.4 15.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 0.0 110.793 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.812 HD22 ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -128.48 -18.88 3.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.809 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.015 HG13 ' NE1' ' A' ' 27' ' ' TRP . 52.7 t -107.0 117.48 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.504 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' A' ' 46' ' ' ILE . 2.0 t80 -127.37 108.74 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.79 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.81 HD21 HG22 ' A' ' 44' ' ' THR . 26.4 t30 -117.67 131.48 56.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.476 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.576 ' HD2' ' HD2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -129.27 124.87 35.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 111.247 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.513 ' SG ' ' N ' ' A' ' 44' ' ' THR . 1.6 m -99.32 148.08 24.53 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.773 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -137.04 159.91 40.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.094 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.749 HG22 ' HE1' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -121.01 30.37 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.631 ' OG1' ' HB2' ' A' ' 61' ' ' CYS . 4.2 p -132.85 167.81 19.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.9 ' ND2' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -51.33 140.65 16.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.9 HD12 ' ND2' ' A' ' 59' ' ' ASN . 1.2 mp 18.83 42.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.734 ' N ' ' O ' ' A' ' 59' ' ' ASN . 8.6 t -64.86 -13.36 56.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.717 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.897 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 17.1 p-10 -111.86 76.46 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.655 HG22 ' CD2' ' A' ' 4' ' ' TYR . 62.7 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.625 ' SD ' ' O ' ' A' ' 22' ' ' THR . 15.5 ttp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.82 0.343 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.871 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -136.85 153.35 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 10.8 m -131.51 178.19 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.727 ' CE2' ' HA ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -128.79 106.91 9.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.793 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.784 ' NE ' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -95.53 174.56 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.997 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -114.36 154.59 27.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.04 -170.99 12.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.449 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.31 3.39 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 111.194 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 t -147.47 -20.89 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.802 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.751 ' O ' HD11 ' A' ' 13' ' ' LEU . . . -145.84 125.19 2.23 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.551 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t -100.04 36.4 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 110.783 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.727 ' HA ' ' CE2' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -137.01 52.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.875 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.751 HD11 ' O ' ' A' ' 10' ' ' GLY . 3.4 mp -99.2 125.39 44.77 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.647 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.664 ' HB2' ' OE1' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -98.91 115.92 29.96 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.248 -179.317 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.871 ' O ' ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -109.73 148.51 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.728 179.643 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.669 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -105.41 118.43 36.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.154 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 21.5 p -112.7 116.86 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.706 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.729 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -152.7 134.19 14.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . 94.25 -40.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -59.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.776 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.845 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -111.27 132.08 54.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.625 ' O ' ' SD ' ' A' ' 1' ' ' MET . 1.3 p -128.09 -5.29 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.017 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.786 ' CE2' HG22 ' A' ' 57' ' ' THR . 9.3 m-85 -101.48 162.54 12.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.593 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -122.24 99.38 6.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.481 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.656 ' HE1' ' CB ' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -102.45 135.85 43.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.269 -179.537 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.39 105.63 8.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.948 ' CZ2' ' HB2' ' A' ' 29' ' ' ASN . 31.9 t90 -103.81 147.03 27.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.678 HD12 ' N ' ' A' ' 29' ' ' ASN . 3.3 tp -138.35 130.28 28.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 111.097 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.948 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . 62.0 t-20 -108.83 109.57 20.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.678 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 1.6 mtmt -76.85 12.99 1.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.012 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.523 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 13.2 mm -114.36 -47.09 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.0 15.62 22.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.099 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 45.47 23.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.584 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 1.3 mt-10 -104.78 130.06 52.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.717 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.645 ' HA ' ' CE3' ' A' ' 27' ' ' TRP . 1.2 ptt180 -128.97 148.65 50.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.293 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.739 ' N ' ' HE3' ' A' ' 27' ' ' TRP . 7.4 m0 -107.13 94.0 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.696 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.757 ' CB ' HD21 ' A' ' 62' ' ' ASN . 4.3 mp -104.47 118.75 37.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.83 -164.44 37.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.542 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 12.5 m -99.8 151.61 21.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.649 ' HB2' ' HD2' ' A' ' 25' ' ' TYR . . . -140.83 160.65 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.224 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.921 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.29 -25.19 46.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.062 0.458 . . . . 0.0 110.286 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.7 p -140.01 -168.5 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.397 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.81 137.69 38.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.935 0.397 . . . . 0.0 110.997 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.831 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -123.88 29.66 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.815 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.755 ' HG2' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -40.95 132.99 2.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.818 ' N ' ' HB3' ' A' ' 53' ' ' ASN . 40.5 mt -140.28 86.67 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.15 84.85 3.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -100.92 -143.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.663 ' CZ3' ' OD1' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -106.34 -18.77 13.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.704 179.753 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.803 HD22 ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -125.17 -29.92 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.76 HG11 ' HE1' ' A' ' 27' ' ' TRP . 2.5 t -106.83 146.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.98 0.419 . . . . 0.0 111.391 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -140.33 113.23 8.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.818 ' HB3' ' N ' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -117.25 130.39 56.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.417 179.798 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.87 126.9 35.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.961 0.41 . . . . 0.0 111.582 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.44 150.48 22.59 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.55 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.572 ' SG ' HG23 ' A' ' 58' ' ' THR . 0.1 OUTLIER -145.32 177.47 8.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.988 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.786 HG22 ' CE2' ' A' ' 23' ' ' PHE . 10.5 p -135.84 37.14 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.648 ' OG1' ' HB3' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -124.14 172.8 8.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.776 HD21 ' HB2' ' A' ' 2' ' ' GLU . 6.9 t-20 -76.96 150.07 35.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.644 HD21 ' OE1' ' A' ' 2' ' ' GLU . 64.0 mt 21.07 47.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.648 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 1.9 p -81.99 -13.27 57.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.757 HD21 ' CB ' ' A' ' 37' ' ' LEU . 12.5 t30 -97.1 97.77 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.017 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.82 -179.998 . . . . . . . . 0 0 . 1 stop_ save_